9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile

C31H17N5 — CID 170443521

IUPAC9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H17N5/c32-18-20-13-14-30-26(15-20)25-9-3-4-10-27(25)35(30)22-16-21(19-33)34-31(17-22)36-28-11-5-1-7-23(28)24-8-2-6-12-29(24)36/h1-17H
InChIKeyJHJPNVWGKFFICO-UHFFFAOYSA-N
MW459.51 g/mol
LogP7.02
Rot. Bonds2

About 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile

9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile (PubChem CID 170443521) has the molecular formula C31H17N5 and a molecular weight of 459.51 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
PubChem CID170443521
Molecular FormulaC31H17N5
Molecular Weight459.51 g/mol
Exact Mass459.15
IUPAC Name9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H17N5/c32-18-20-13-14-30-26(15-20)25-9-3-4-10-27(25)35(30)22-16-21(19-33)34-31(17-22)36-28-11-5-1-7-23(28)24-8-2-6-12-29(24)36/h1-17H
InChIKeyJHJPNVWGKFFICO-UHFFFAOYSA-N
XLogP7.02
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile
CID 146542629
4-(3-cyano-6-pyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 155332660
9-(3-carbazol-9-ylphenyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-[6-(3-methylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158181129
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312383
9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile?
The IUPAC name of 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile (CID 170443521) is 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)nc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile?
The InChIKey is JHJPNVWGKFFICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N5/c32-18-20-13-14-30-26(15-20)25-9-3-4-10-27(25)35(30)22-16-21(19-33)34-31(17-22)36-28-11-5-1-7-23(28)24-8-2-6-12-29(24)36/h1-17H.
What are the key properties of 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile?
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile has a molecular weight of 459.51 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile is sourced from PubChem (CID 170443521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).