(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol

C33H32O2 — CID 95931344

IUPAC(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@]2(O)c1ccccc1
InChIInChI=1S/C33H32O2/c34-32(26-17-9-3-10-18-26)22-28(24-13-5-1-6-14-24)30-21-31(32)29(25-15-7-2-8-16-25)23-33(30,35)27-19-11-4-12-20-27/h1-20,28-31,34-35H,21-23H2/t28-,29-,30+,31+,32-,33+/m0/s1
InChIKeyQKCLWPBXLSUOTJ-CEKPZKRZSA-N
MW460.62 g/mol
LogP6.76
Rot. Bonds4

About (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol

(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol (PubChem CID 95931344) has the molecular formula C33H32O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol.

Molecular Properties

Compound Name(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
PubChem CID95931344
Molecular FormulaC33H32O2
Molecular Weight460.62 g/mol
Exact Mass460.24
IUPAC Name(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@]2(O)c1ccccc1
InChIInChI=1S/C33H32O2/c34-32(26-17-9-3-10-18-26)22-28(24-13-5-1-6-14-24)30-21-31(32)29(25-15-7-2-8-16-25)23-33(30,35)27-19-11-4-12-20-27/h1-20,28-31,34-35H,21-23H2/t28-,29-,30+,31+,32-,33+/m0/s1
InChIKeyQKCLWPBXLSUOTJ-CEKPZKRZSA-N
XLogP6.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol with MolForge

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Related Compounds

cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
CID 101480182
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1R,3S,4R)-3-phenylbicyclo[2.1.0]pentane-1-carboxylic acid
CID 170898169
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
CID 7451838
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 98477563
2-phenylbicyclo[2.2.1]heptane-2,5-diol
CID 59556115

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol?
The IUPAC name of (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol (CID 95931344) is (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol.
What is the SMILES notation for (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol?
The canonical SMILES for (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol is O[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@]2(O)c1ccccc1.
What is the InChIKey of (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol?
The InChIKey is QKCLWPBXLSUOTJ-CEKPZKRZSA-N. The full InChI is InChI=1S/C33H32O2/c34-32(26-17-9-3-10-18-26)22-28(24-13-5-1-6-14-24)30-21-31(32)29(25-15-7-2-8-16-25)23-33(30,35)27-19-11-4-12-20-27/h1-20,28-31,34-35H,21-23H2/t28-,29-,30+,31+,32-,33+/m0/s1.
What are the key properties of (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol?
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol has a molecular weight of 460.62 g/mol, XLogP of 6.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol is sourced from PubChem (CID 95931344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).