9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

C31H18N4 — CID 146543253

IUPAC9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2cccc(C#N)n2)cc1
InChIInChI=1S/C31H18N4/c32-19-21-12-17-31-27(18-21)26-8-2-4-11-30(26)35(31)29-10-3-1-7-25(29)22-13-15-23(16-14-22)28-9-5-6-24(20-33)34-28/h1-18H
InChIKeyVAUFNVUFNHVCIU-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.26
Rot. Bonds3

About 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 146543253) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID146543253
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2cccc(C#N)n2)cc1
InChIInChI=1S/C31H18N4/c32-19-21-12-17-31-27(18-21)26-8-2-4-11-30(26)35(31)29-10-3-1-7-25(29)22-13-15-23(16-14-22)28-9-5-6-24(20-33)34-28/h1-18H
InChIKeyVAUFNVUFNHVCIU-UHFFFAOYSA-N
XLogP7.26
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155463156
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
3-carbazol-9-yl-6-[4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155081593
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 146543253) is 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2cccc(C#N)n2)cc1.
What is the InChIKey of 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is VAUFNVUFNHVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c32-19-21-12-17-31-27(18-21)26-8-2-4-11-30(26)35(31)29-10-3-1-7-25(29)22-13-15-23(16-14-22)28-9-5-6-24(20-33)34-28/h1-18H.
What are the key properties of 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 146543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).