Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 22:46:11 UTC |
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Update Date | 2022-03-07 02:55:22 UTC |
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HMDB ID | HMDB0037518 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1,3,5-Triphenylcyclohexane |
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Description | 1,3,5-Triphenylcyclohexane belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Based on a literature review very few articles have been published on 1,3,5-Triphenylcyclohexane. |
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Structure | C1C(CC(CC1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2 |
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Synonyms | Value | Source |
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1,1',1''-(1,3,5-Cyclohexanetriyl)tris[benzene] | ChEBI | 1,1',1''-(1,3,5-Cyclohexanetriyl)trisbenzene | ChEBI | 2(5)-Phenyl-2(1),2(2),2(3),2(4),2(5),2(6)-hexahydro-1(1),2(1):2(3),3(1)-terphenyl | ChEBI | 1,1',1''-(1,3,5-Cyclohexanetriyl)trisbenzene, 9ci | HMDB |
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Chemical Formula | C24H24 |
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Average Molecular Weight | 312.4474 |
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Monoisotopic Molecular Weight | 312.187800768 |
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IUPAC Name | (3,5-diphenylcyclohexyl)benzene |
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Traditional Name | 1,3,5-triphenylcyclohexane |
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CAS Registry Number | 17342-60-8 |
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SMILES | C1C(CC(CC1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2 |
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InChI Key | YVPJVAWPIRGOJN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Not Available |
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Direct Parent | Benzene and substituted derivatives |
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Alternative Parents | |
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Substituents | - Monocyclic benzene moiety
- Aromatic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 1,3,5-Triphenylcyclohexane GC-MS (Non-derivatized) - 70eV, Positive | splash10-0k96-1930000000-b73427519e0ad3fd45a4 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1,3,5-Triphenylcyclohexane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 10V, Positive-QTOF | splash10-03di-0009000000-207ab49164efa7cac42b | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 20V, Positive-QTOF | splash10-03di-2479000000-ffe4d815c1af5f998260 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 40V, Positive-QTOF | splash10-0udi-1930000000-de707340a36f02d89466 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 10V, Negative-QTOF | splash10-03di-0009000000-29e5b43fe1f2f26994de | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 20V, Negative-QTOF | splash10-03di-0009000000-7694e7ad27192a066fa6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 40V, Negative-QTOF | splash10-03fr-4295000000-419d029a3caadcf391a9 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 10V, Positive-QTOF | splash10-03di-0019000000-f8d83043c3a9d25cc009 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 20V, Positive-QTOF | splash10-03di-0289000000-ba0efa37f54322ff743f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 40V, Positive-QTOF | splash10-0019-1391000000-08d1864ef929f344eedb | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 10V, Negative-QTOF | splash10-03di-0009000000-0f78b929d2d04808df37 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 20V, Negative-QTOF | splash10-03di-0009000000-55a34f2b6ae6a0c7dbb9 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,3,5-Triphenylcyclohexane 40V, Negative-QTOF | splash10-0a4i-2194000000-001340a5a40dda424e4d | 2021-09-24 | Wishart Lab | View Spectrum |
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