4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile

C46H28N4O2 — CID 134234671

IUPAC4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5O)c3c2)c(C#N)c1
InChIInChI=1S/C46H28N4O2/c47-27-29-21-23-34(33(25-29)28-48)32-22-24-37-36-15-7-8-18-39(36)49(42(37)26-32)41-20-10-17-38-44(41)46(52)50(45(38)51)40-19-9-16-35(30-11-3-1-4-12-30)43(40)31-13-5-2-6-14-31/h1-26,45,51H
InChIKeyAQYQRVWLKBCIHH-UHFFFAOYSA-N
MW668.76 g/mol
LogP10.18
Rot. Bonds5

About 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile

4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 134234671) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID134234671
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5O)c3c2)c(C#N)c1
InChIInChI=1S/C46H28N4O2/c47-27-29-21-23-34(33(25-29)28-48)32-22-24-37-36-15-7-8-18-39(36)49(42(37)26-32)41-20-10-17-38-44(41)46(52)50(45(38)51)40-19-9-16-35(30-11-3-1-4-12-30)43(40)31-13-5-2-6-14-31/h1-26,45,51H
InChIKeyAQYQRVWLKBCIHH-UHFFFAOYSA-N
XLogP10.18
TPSA93.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile 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

3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
4-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234676
3-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
CID 134235115
6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile
CID 163651110
3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989480
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
4-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465875
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
4-[9-[4-cyano-2,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 156511307
4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 159756357

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 134234671) is 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5O)c3c2)c(C#N)c1.
What is the InChIKey of 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is AQYQRVWLKBCIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c47-27-29-21-23-34(33(25-29)28-48)32-22-24-37-36-15-7-8-18-39(36)49(42(37)26-32)41-20-10-17-38-44(41)46(52)50(45(38)51)40-19-9-16-35(30-11-3-1-4-12-30)43(40)31-13-5-2-6-14-31/h1-26,45,51H.
What are the key properties of 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile?
4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 668.76 g/mol, XLogP of 10.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134234671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).