4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

C32H17N5 — CID 138566416

IUPAC4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cccc(-c4ccc(C#N)cc4C#N)c32)c1
InChIInChI=1S/C32H17N5/c33-18-21-8-9-27(25(14-21)20-35)29-5-3-6-30-28-4-1-2-7-31(28)37(32(29)30)26-16-22(19-34)15-24(17-26)23-10-12-36-13-11-23/h1-17H
InChIKeyFDZRYGFKTGIEAF-UHFFFAOYSA-N
MW471.52 g/mol
LogP7.13
Rot. Bonds3

About 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile

4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 138566416) has the molecular formula C32H17N5 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
PubChem CID138566416
Molecular FormulaC32H17N5
Molecular Weight471.52 g/mol
Exact Mass471.15
IUPAC Name4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cccc(-c4ccc(C#N)cc4C#N)c32)c1
InChIInChI=1S/C32H17N5/c33-18-21-8-9-27(25(14-21)20-35)29-5-3-6-30-28-4-1-2-7-31(28)37(32(29)30)26-16-22(19-34)15-24(17-26)23-10-12-36-13-11-23/h1-17H
InChIKeyFDZRYGFKTGIEAF-UHFFFAOYSA-N
XLogP7.13
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566121
3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566119
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
9-[3-carbazol-9-yl-5-(2,4-dicyanophenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 121312407
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138566387
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile (CID 138566416) is 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(-c2ccncc2)cc(-n2c3ccccc3c3cccc(-c4ccc(C#N)cc4C#N)c32)c1.
What is the InChIKey of 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is FDZRYGFKTGIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N5/c33-18-21-8-9-27(25(14-21)20-35)29-5-3-6-30-28-4-1-2-7-31(28)37(32(29)30)26-16-22(19-34)15-24(17-26)23-10-12-36-13-11-23/h1-17H.
What are the key properties of 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 471.52 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 138566416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).