5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C38H21N5 — CID 138565649

IUPAC5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1
InChIInChI=1S/C38H21N5/c39-22-25-16-26(23-40)18-30(17-25)29-10-11-37-35(19-29)32-8-4-5-9-36(32)43(37)38-21-33(28-12-14-42-15-13-28)31(24-41)20-34(38)27-6-2-1-3-7-27/h1-21H
InChIKeyKHLKYZZLYPZIQH-UHFFFAOYSA-N
MW547.62 g/mol
LogP8.79
Rot. Bonds4

About 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 138565649) has the molecular formula C38H21N5 and a molecular weight of 547.62 g/mol. Its IUPAC name is 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID138565649
Molecular FormulaC38H21N5
Molecular Weight547.62 g/mol
Exact Mass547.18
IUPAC Name5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1
InChIInChI=1S/C38H21N5/c39-22-25-16-26(23-40)18-30(17-25)29-10-11-37-35(19-29)32-8-4-5-9-36(32)43(37)38-21-33(28-12-14-42-15-13-28)31(24-41)20-34(38)27-6-2-1-3-7-27/h1-21H
InChIKeyKHLKYZZLYPZIQH-UHFFFAOYSA-N
XLogP8.79
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 58.79
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
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
5-[6-(3,5-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138578657
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazol-3-yl]benzonitrile
CID 138579032

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 138565649) is 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1.
What is the InChIKey of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is KHLKYZZLYPZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N5/c39-22-25-16-26(23-40)18-30(17-25)29-10-11-37-35(19-29)32-8-4-5-9-36(32)43(37)38-21-33(28-12-14-42-15-13-28)31(24-41)20-34(38)27-6-2-1-3-7-27/h1-21H.
What are the key properties of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 547.62 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 138565649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).