[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene

C32H32 — CID 124794227

IUPAC[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
SMILESCC1(C)C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H32/c1-32(2)23-28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)31(32)27-21-13-6-14-22-27/h3-22,28-31H,23H2,1-2H3/t28-,29+,30-,31-/m1/s1
InChIKeyKZSPFWUYMYGYBL-YXOGWZJSSA-N
MW416.61 g/mol
LogP8.55
Rot. Bonds4

About [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene

[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene (PubChem CID 124794227) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
PubChem CID124794227
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
SMILESCC1(C)C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H32/c1-32(2)23-28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)31(32)27-21-13-6-14-22-27/h3-22,28-31H,23H2,1-2H3/t28-,29+,30-,31-/m1/s1
InChIKeyKZSPFWUYMYGYBL-YXOGWZJSSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene with MolForge

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Related Compounds

1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
CID 131847538
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
N,2,2-trimethyl-3,4-diphenylcyclobutan-1-amine
CID 81422447
2,4,4-trimethyl-3-phenyloxolane
CID 78139308
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene?
The IUPAC name of [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene (CID 124794227) is [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene.
What is the SMILES notation for [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene?
The canonical SMILES for [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene is CC1(C)C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene?
The InChIKey is KZSPFWUYMYGYBL-YXOGWZJSSA-N. The full InChI is InChI=1S/C32H32/c1-32(2)23-28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)31(32)27-21-13-6-14-22-27/h3-22,28-31H,23H2,1-2H3/t28-,29+,30-,31-/m1/s1.
What are the key properties of [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene?
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene has a molecular weight of 416.61 g/mol, XLogP of 8.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene is sourced from PubChem (CID 124794227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).