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

C44H26N4 — CID 153301946

IUPAC4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C#N)cc5)cc43)cc2)cc1
InChIInChI=1S/C44H26N4/c45-27-29-9-13-31(14-10-29)32-15-21-36(22-16-32)48-41-7-3-1-5-37(41)39-23-17-34(26-44(39)48)33-18-24-43-40(25-33)38-6-2-4-8-42(38)47(43)35-19-11-30(28-46)12-20-35/h1-26H
InChIKeyHKKNYLBJEYMHAD-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 153301946) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID153301946
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C#N)cc5)cc43)cc2)cc1
InChIInChI=1S/C44H26N4/c45-27-29-9-13-31(14-10-29)32-15-21-36(22-16-32)48-41-7-3-1-5-37(41)39-23-17-34(26-44(39)48)33-18-24-43-40(25-33)38-6-2-4-8-42(38)47(43)35-19-11-30(28-46)12-20-35/h1-26H
InChIKeyHKKNYLBJEYMHAD-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 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile 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

4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (CID 153301946) is 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C#N)cc5)cc43)cc2)cc1.
What is the InChIKey of 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is HKKNYLBJEYMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-9-13-31(14-10-29)32-15-21-36(22-16-32)48-41-7-3-1-5-37(41)39-23-17-34(26-44(39)48)33-18-24-43-40(25-33)38-6-2-4-8-42(38)47(43)35-19-11-30(28-46)12-20-35/h1-26H.
What are the key properties of 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile 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 4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 153301946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).