3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile

C38H27N3 — CID 138566119

IUPAC3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12
InChIInChI=1S/C38H27N3/c1-25-9-3-5-11-31(25)33-13-7-15-35-36-16-8-14-34(32-12-6-4-10-26(32)2)38(36)41(37(33)35)30-22-27(24-39)21-29(23-30)28-17-19-40-20-18-28/h3-23H,1-2H3
InChIKeyFLMKXSHTNIVYHV-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.67
Rot. Bonds4

About 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile

3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile (PubChem CID 138566119) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
PubChem CID138566119
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC Name3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12
InChIInChI=1S/C38H27N3/c1-25-9-3-5-11-31(25)33-13-7-15-35-36-16-8-14-34(32-12-6-4-10-26(32)2)38(36)41(37(33)35)30-22-27(24-39)21-29(23-30)28-17-19-40-20-18-28/h3-23H,1-2H3
InChIKeyFLMKXSHTNIVYHV-UHFFFAOYSA-N
XLogP9.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566121
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138566416
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138566387
5-[8-(3-cyano-5-methylphenyl)-9-(5-cyano-2-methyl-4-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138565999
3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840
5-[3-carbazol-9-yl-9-(2,6-dimethylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134598218
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640

Frequently Asked Questions

What is the IUPAC name of 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile (CID 138566119) is 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile is Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12.
What is the InChIKey of 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The InChIKey is FLMKXSHTNIVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-25-9-3-5-11-31(25)33-13-7-15-35-36-16-8-14-34(32-12-6-4-10-26(32)2)38(36)41(37(33)35)30-22-27(24-39)21-29(23-30)28-17-19-40-20-18-28/h3-23H,1-2H3.
What are the key properties of 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile has a molecular weight of 525.66 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).