9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

C44H26N4 — CID 155080823

IUPAC9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H
InChIKeyLBGMVOXRZYXSEZ-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 155080823) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
PubChem CID155080823
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H
InChIKeyLBGMVOXRZYXSEZ-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

Analyze 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 154958557
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (CID 155080823) is 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is LBGMVOXRZYXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H.
What are the key properties of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-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-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155080823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).