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

C33H19N5 — CID 138565522

IUPAC4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESCc1cc(C#N)c(-c2ccncc2)cc1-n1c2ccccc2c2cc(-c3ccc(C#N)cc3C#N)ccc21
InChIInChI=1S/C33H19N5/c1-21-14-25(19-35)29(23-10-12-37-13-11-23)17-33(21)38-31-5-3-2-4-28(31)30-16-24(7-9-32(30)38)27-8-6-22(18-34)15-26(27)20-36/h2-17H,1H3
InChIKeyLKTFOARZVGGPMV-UHFFFAOYSA-N
MW485.55 g/mol
LogP7.44
Rot. Bonds3

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

4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 138565522) has the molecular formula C33H19N5 and a molecular weight of 485.55 g/mol. Its IUPAC name is 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID138565522
Molecular FormulaC33H19N5
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC Name4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESCc1cc(C#N)c(-c2ccncc2)cc1-n1c2ccccc2c2cc(-c3ccc(C#N)cc3C#N)ccc21
InChIInChI=1S/C33H19N5/c1-21-14-25(19-35)29(23-10-12-37-13-11-23)17-33(21)38-31-5-3-2-4-28(31)30-16-24(7-9-32(30)38)27-8-6-22(18-34)15-26(27)20-36/h2-17H,1H3
InChIKeyLKTFOARZVGGPMV-UHFFFAOYSA-N
XLogP7.44
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
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
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134321459
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 138565522) is 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is Cc1cc(C#N)c(-c2ccncc2)cc1-n1c2ccccc2c2cc(-c3ccc(C#N)cc3C#N)ccc21.
What is the InChIKey of 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is LKTFOARZVGGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5/c1-21-14-25(19-35)29(23-10-12-37-13-11-23)17-33(21)38-31-5-3-2-4-28(31)30-16-24(7-9-32(30)38)27-8-6-22(18-34)15-26(27)20-36/h2-17H,1H3.
What are the key properties of 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 485.55 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 138565522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).