9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile

C32H17N5 — CID 138565912

IUPAC9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccncc2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C32H17N5/c33-18-21-6-8-30-28(14-21)29-15-22(19-34)7-9-31(29)37(30)32-17-26(24-10-12-36-13-11-24)25(20-35)16-27(32)23-4-2-1-3-5-23/h1-17H
InChIKeyMVFAXPGUOLLOJO-UHFFFAOYSA-N
MW471.52 g/mol
LogP7.13
Rot. Bonds3

About 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile

9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile (PubChem CID 138565912) has the molecular formula C32H17N5 and a molecular weight of 471.52 g/mol. Its IUPAC name is 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
PubChem CID138565912
Molecular FormulaC32H17N5
Molecular Weight471.52 g/mol
Exact Mass471.15
IUPAC Name9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccncc2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C32H17N5/c33-18-21-6-8-30-28(14-21)29-15-22(19-34)7-9-31(29)37(30)32-17-26(24-10-12-36-13-11-24)25(20-35)16-27(32)23-4-2-1-3-5-23/h1-17H
InChIKeyMVFAXPGUOLLOJO-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

5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565650
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
CID 134292915
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
9-[2-cyano-4-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155217704
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile (CID 138565912) is 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccncc2)c(C#N)cc1-c1ccccc1.
What is the InChIKey of 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The InChIKey is MVFAXPGUOLLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N5/c33-18-21-6-8-30-28(14-21)29-15-22(19-34)7-9-31(29)37(30)32-17-26(24-10-12-36-13-11-24)25(20-35)16-27(32)23-4-2-1-3-5-23/h1-17H.
What are the key properties of 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile?
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-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 9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 138565912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).