1,2,3,4,5-pentakis-phenylcyclohexan-1-ol

C36H32O — CID 141127283

IUPAC1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
SMILESOC1(c2ccccc2)CC(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C36H32O/c37-36(31-24-14-5-15-25-31)26-32(27-16-6-1-7-17-27)33(28-18-8-2-9-19-28)34(29-20-10-3-11-21-29)35(36)30-22-12-4-13-23-30/h1-25,32-35,37H,26H2
InChIKeyCFTDHGPXICCFFJ-UHFFFAOYSA-N
MW480.65 g/mol
LogP8.41
Rot. Bonds5

About 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol

1,2,3,4,5-pentakis-phenylcyclohexan-1-ol (PubChem CID 141127283) has the molecular formula C36H32O and a molecular weight of 480.65 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
PubChem CID141127283
Molecular FormulaC36H32O
Molecular Weight480.65 g/mol
Exact Mass480.25
IUPAC Name1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
SMILESOC1(c2ccccc2)CC(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C36H32O/c37-36(31-24-14-5-15-25-31)26-32(27-16-6-1-7-17-27)33(28-18-8-2-9-19-28)34(29-20-10-3-11-21-29)35(36)30-22-12-4-13-23-30/h1-25,32-35,37H,26H2
InChIKeyCFTDHGPXICCFFJ-UHFFFAOYSA-N
XLogP8.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
CID 101480182
[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
CID 11827032
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
CID 11476370
(2R,3R,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 92842685
(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 98160666
methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
CID 101480183
CID 11374343
CID 11374343
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol?
The IUPAC name of 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol (CID 141127283) is 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol.
What is the SMILES notation for 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol?
The canonical SMILES for 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol is OC1(c2ccccc2)CC(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol?
The InChIKey is CFTDHGPXICCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O/c37-36(31-24-14-5-15-25-31)26-32(27-16-6-1-7-17-27)33(28-18-8-2-9-19-28)34(29-20-10-3-11-21-29)35(36)30-22-12-4-13-23-30/h1-25,32-35,37H,26H2.
What are the key properties of 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol?
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol has a molecular weight of 480.65 g/mol, XLogP of 8.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis-phenylcyclohexan-1-ol is sourced from PubChem (CID 141127283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).