6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile

C31H20N2 — CID 170260915

IUPAC6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3c2c1
InChIInChI=1S/C31H20N2/c32-20-21-9-15-30-28(17-21)29-19-27(14-16-31(29)33-30)26-8-4-7-25(18-26)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-19,33H
InChIKeyXPVJFOQVNLSJOE-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.19
Rot. Bonds3

About 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile

6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile (PubChem CID 170260915) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile
PubChem CID170260915
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3c2c1
InChIInChI=1S/C31H20N2/c32-20-21-9-15-30-28(17-21)29-19-27(14-16-31(29)33-30)26-8-4-7-25(18-26)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-19,33H
InChIKeyXPVJFOQVNLSJOE-UHFFFAOYSA-N
XLogP8.19
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
9H-carbazole-3-carbonitrile
CID 21107343
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556
3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
CID 129238384
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
8-[3-(8-cyanodibenzothiophen-2-yl)-5-(2-cyano-4-phenylphenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354019
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile?
The IUPAC name of 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile (CID 170260915) is 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile.
What is the SMILES notation for 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile?
The canonical SMILES for 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile is N#Cc1ccc2[nH]c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3c2c1.
What is the InChIKey of 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile?
The InChIKey is XPVJFOQVNLSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c32-20-21-9-15-30-28(17-21)29-19-27(14-16-31(29)33-30)26-8-4-7-25(18-26)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-19,33H.
What are the key properties of 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile?
6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile is sourced from PubChem (CID 170260915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).