cis,trans-1,3,5-triphenylcyclohexane (Q27288194)

1,1',1''-(1,3,5-Cyclohexanetriyl)tribenzene (English)

14 October 2016

chemical formula

C₂₄H₂₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)C2CC(CC(C2)C3=CC=CC=C3)C4=CC=CC=C4

1 reference

cis,trans-1,3,5-triphenylcyclohexane (English)

14 October 2016

isomeric SMILES

C1=CC=C(C=C1)[C@H]2C[C@@H](C[C@@H](C2)C3=CC=CC=C3)C4=CC=CC=C4

1 reference

cis,trans-1,3,5-triphenylcyclohexane (English)

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/t22-,23-,24-

14 October 2016

Identifiers

InChI

1 reference

cis,trans-1,3,5-triphenylcyclohexane (English)

YVPJVAWPIRGOJN-NWTOFMHBSA-N

14 October 2016

InChIKey

1 reference

cis,trans-1,3,5-triphenylcyclohexane (English)

14 October 2016

2 references

cis,trans-1,3,5-triphenylcyclohexane (English)

YVPJVAWPIRGOJN-NWTOFMHBSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=28336-57-4

1 reference

1,1',1''-(1,3,5-Cyclohexanetriyl)tribenzene (English)

14 October 2016

ChEBI ID

176964

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2022-06-13

International Chemical Identifier

InChI

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/t22-,23-,24-

DSSTox substance ID

DTXSID00182572

0 references

DSSTOX compound identifier

DTXCID40105063

0 references

EC number

248-975-3

1 reference

cis,trans-1,3,5-triphenylcyclohexane (English)

ECHA Substance Infocard ID

14 October 2016

100.044.508

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.044.508

27 December 2018

1,3,5-triphenylcyclohexane (English)

quotation

CAS no.: 28336-57-4 (English)

2 references

cis,trans-1,3,5-triphenylcyclohexane (English)