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

C31H18N4 — CID 146542601

IUPAC9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cnccc1C#N
InChIInChI=1S/C31H18N4/c32-18-21-13-14-31-27(17-21)26-10-4-6-12-30(26)35(31)29-11-5-3-9-25(29)23-7-1-2-8-24(23)28-20-34-16-15-22(28)19-33/h1-17,20H
InChIKeyCBPDZRGMMIUPED-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.26
Rot. Bonds3

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

9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 146542601) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID146542601
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cnccc1C#N
InChIInChI=1S/C31H18N4/c32-18-21-13-14-31-27(17-21)26-10-4-6-12-30(26)35(31)29-11-5-3-9-25(29)23-7-1-2-8-24(23)28-20-34-16-15-22(28)19-33/h1-17,20H
InChIKeyCBPDZRGMMIUPED-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-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542671
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
CID 155081255
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 146542601) is 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cnccc1C#N.
What is the InChIKey of 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is CBPDZRGMMIUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c32-18-21-13-14-31-27(17-21)26-10-4-6-12-30(26)35(31)29-11-5-3-9-25(29)23-7-1-2-8-24(23)28-20-34-16-15-22(28)19-33/h1-17,20H.
What are the key properties of 9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[2-[2-(4-cyano-3-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-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 146542601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).