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

C44H26N4 — CID 155079719

IUPAC9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-23-43(48-42-15-6-3-12-37(42)38-22-16-30(28-46)25-44(38)48)39(24-29)32-20-18-31(19-21-32)33-8-7-9-34(26-33)47-40-13-4-1-10-35(40)36-11-2-5-14-41(36)47/h1-26H
InChIKeyIOSRJOAKURBMOR-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 155079719) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
PubChem CID155079719
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-23-43(48-42-15-6-3-12-37(42)38-22-16-30(28-46)25-44(38)48)39(24-29)32-20-18-31(19-21-32)33-8-7-9-34(26-33)47-40-13-4-1-10-35(40)36-11-2-5-14-41(36)47/h1-26H
InChIKeyIOSRJOAKURBMOR-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile
CID 155086047
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164743981
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile (CID 155079719) is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1.
What is the InChIKey of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is IOSRJOAKURBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-17-23-43(48-42-15-6-3-12-37(42)38-22-16-30(28-46)25-44(38)48)39(24-29)32-20-18-31(19-21-32)33-8-7-9-34(26-33)47-40-13-4-1-10-35(40)36-11-2-5-14-41(36)47/h1-26H.
What are the key properties of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile?
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155079719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).