[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol

C31H26N2O — CID 70991147

IUPAC[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
SMILESOCc1cc(-n2c3c(c4ccccc42)C=CCC3)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C31H26N2O/c34-20-21-17-22(32-28-13-5-1-9-24(28)25-10-2-6-14-29(25)32)19-23(18-21)33-30-15-7-3-11-26(30)27-12-4-8-16-31(27)33/h1-5,7,9-13,15,17-19,34H,6,8,14,16,20H2
InChIKeyKTDNBUPBSOKYIZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.99
Rot. Bonds3

About [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol

[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol (PubChem CID 70991147) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
PubChem CID70991147
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
SMILESOCc1cc(-n2c3c(c4ccccc42)C=CCC3)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C31H26N2O/c34-20-21-17-22(32-28-13-5-1-9-24(28)25-10-2-6-14-29(25)32)19-23(18-21)33-30-15-7-3-11-26(30)27-12-4-8-16-31(27)33/h1-5,7,9-13,15,17-19,34H,6,8,14,16,20H2
InChIKeyKTDNBUPBSOKYIZ-UHFFFAOYSA-N
XLogP6.99
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
2-bicyclo[2.2.1]hept-5-enylmethyl 3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)benzoate
CID 70991096

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol?
The IUPAC name of [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol (CID 70991147) is [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol.
What is the SMILES notation for [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol?
The canonical SMILES for [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol is OCc1cc(-n2c3c(c4ccccc42)C=CCC3)cc(-n2c3c(c4ccccc42)C=CCC3)c1.
What is the InChIKey of [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol?
The InChIKey is KTDNBUPBSOKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c34-20-21-17-22(32-28-13-5-1-9-24(28)25-10-2-6-14-29(25)32)19-23(18-21)33-30-15-7-3-11-26(30)27-12-4-8-16-31(27)33/h1-5,7,9-13,15,17-19,34H,6,8,14,16,20H2.
What are the key properties of [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol?
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol has a molecular weight of 442.56 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol is sourced from PubChem (CID 70991147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).