9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

C31H18N4 — CID 146542671

IUPAC9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2-c2cnccc2C#N)c1
InChIInChI=1S/C31H18N4/c32-18-21-12-13-31-28(16-21)27-10-3-4-11-30(27)35(31)24-7-5-6-22(17-24)25-8-1-2-9-26(25)29-20-34-15-14-23(29)19-33/h1-17,20H
InChIKeyNERZFUFRBNZFIJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.26
Rot. Bonds3

About 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 146542671) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID146542671
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2-c2cnccc2C#N)c1
InChIInChI=1S/C31H18N4/c32-18-21-12-13-31-28(16-21)27-10-3-4-11-30(27)35(31)24-7-5-6-22(17-24)25-8-1-2-9-26(25)29-20-34-15-14-23(29)19-33/h1-17,20H
InChIKeyNERZFUFRBNZFIJ-UHFFFAOYSA-N
XLogP7.26
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542679
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
9-[3-[4-(3-cyano-4-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-(6-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158494316
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 146542671) is 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2-c2cnccc2C#N)c1.
What is the InChIKey of 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is NERZFUFRBNZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c32-18-21-12-13-31-28(16-21)27-10-3-4-11-30(27)35(31)24-7-5-6-22(17-24)25-8-1-2-9-26(25)29-20-34-15-14-23(29)19-33/h1-17,20H.
What are the key properties of 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 146542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).