9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile

C38H22N4 — CID 164957038

IUPAC9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C#N)ccc54)ccc32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-13-16-27(17-14-25)29-7-1-4-10-34(29)42-36-12-6-3-9-31(36)33-22-28(18-20-38(33)42)41-35-11-5-2-8-30(35)32-21-26(24-40)15-19-37(32)41/h1-22H
InChIKeyBHVHJXNEZWUQRX-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile

9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile (PubChem CID 164957038) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
PubChem CID164957038
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C#N)ccc54)ccc32)cc1
InChIInChI=1S/C38H22N4/c39-23-25-13-16-27(17-14-25)29-7-1-4-10-34(29)42-36-12-6-3-9-31(36)33-22-28(18-20-38(33)42)41-35-11-5-2-8-30(35)32-21-26(24-40)15-19-37(32)41/h1-22H
InChIKeyBHVHJXNEZWUQRX-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[4-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079498
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889

Frequently Asked Questions

What is the IUPAC name of 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile (CID 164957038) is 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile is N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C#N)ccc54)ccc32)cc1.
What is the InChIKey of 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The InChIKey is BHVHJXNEZWUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-13-16-27(17-14-25)29-7-1-4-10-34(29)42-36-12-6-3-9-31(36)33-22-28(18-20-38(33)42)41-35-11-5-2-8-30(35)32-21-26(24-40)15-19-37(32)41/h1-22H.
What are the key properties of 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 164957038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).