9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol

C21H18O — CID 102093579

IUPAC9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol
SMILESOC12C3C4C5C(C4C1(c1ccccc1)c1ccccc1)C2C53
InChIInChI=1S/C21H18O/c22-21-18-14-13-15(19(21)16(13)18)17(14)20(21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-19,22H
InChIKeyJLLBGYVDEUYFFL-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.09
Rot. Bonds2

About 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol

9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol (PubChem CID 102093579) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol.

Molecular Properties

Compound Name9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol
PubChem CID102093579
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol
SMILESOC12C3C4C5C(C4C1(c1ccccc1)c1ccccc1)C2C53
InChIInChI=1S/C21H18O/c22-21-18-14-13-15(19(21)16(13)18)17(14)20(21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-19,22H
InChIKeyJLLBGYVDEUYFFL-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol with MolForge

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Related Compounds

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CID 87437290
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(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(2R,4R)-1-phenylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
CID 135362082
(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
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol?
The IUPAC name of 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol (CID 102093579) is 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol.
What is the SMILES notation for 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol?
The canonical SMILES for 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol is OC12C3C4C5C(C4C1(c1ccccc1)c1ccccc1)C2C53.
What is the InChIKey of 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol?
The InChIKey is JLLBGYVDEUYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c22-21-18-14-13-15(19(21)16(13)18)17(14)20(21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-19,22H.
What are the key properties of 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol?
9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol is sourced from PubChem (CID 102093579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).