9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile

C38H20N6 — CID 121312383

IUPAC9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccccc2C#N)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C38H20N6/c39-21-24-13-15-35-31(17-24)32-18-25(22-40)14-16-36(32)44(35)38-20-27(28-8-2-1-7-26(28)23-41)19-37(42-38)43-33-11-5-3-9-29(33)30-10-4-6-12-34(30)43/h1-20H
InChIKeyPHNBOIJVQVJSAU-UHFFFAOYSA-N
MW560.62 g/mol
LogP8.56
Rot. Bonds3

About 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile

9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 121312383) has the molecular formula C38H20N6 and a molecular weight of 560.62 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
PubChem CID121312383
Molecular FormulaC38H20N6
Molecular Weight560.62 g/mol
Exact Mass560.17
IUPAC Name9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccccc2C#N)cc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C38H20N6/c39-21-24-13-15-35-31(17-24)32-18-25(22-40)14-16-36(32)44(35)38-20-27(28-8-2-1-7-26(28)23-41)19-37(42-38)43-33-11-5-3-9-29(33)30-10-4-6-12-34(30)43/h1-20H
InChIKeyPHNBOIJVQVJSAU-UHFFFAOYSA-N
XLogP8.56
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(3-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 165039885
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 158469733
9-[4-[2-(2-cyanophenyl)phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312480
9-[3-carbazol-9-yl-5-[2-[2-[2-(4-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile;2-[2-[2-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]phenyl]benzonitrile;3-[2-[2-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]phenyl]benzonitrile
CID 164964760
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312507
9-[3-carbazol-9-yl-5-(2,4-dicyanophenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 121312407
9-[9-[4-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734413
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
CID 170443521

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile (CID 121312383) is 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccccc2C#N)cc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile?
The InChIKey is PHNBOIJVQVJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N6/c39-21-24-13-15-35-31(17-24)32-18-25(22-40)14-16-36(32)44(35)38-20-27(28-8-2-1-7-26(28)23-41)19-37(42-38)43-33-11-5-3-9-29(33)30-10-4-6-12-34(30)43/h1-20H.
What are the key properties of 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile?
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 560.62 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 121312383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).