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

C45H29N3O2 — CID 134234913

IUPAC3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2-c2ccccc2)C3O)c1
InChIInChI=1S/C45H29N3O2/c46-28-29-12-9-17-32(26-29)33-24-25-39-37(27-33)35-18-7-8-21-38(35)47(39)41-23-11-20-36-43(41)45(50)48(44(36)49)40-22-10-19-34(30-13-3-1-4-14-30)42(40)31-15-5-2-6-16-31/h1-27,44,49H
InChIKeyJSIJPRKFGMHEGS-UHFFFAOYSA-N
MW643.75 g/mol
LogP10.31
Rot. Bonds5

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

3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile (PubChem CID 134234913) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
PubChem CID134234913
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2-c2ccccc2)C3O)c1
InChIInChI=1S/C45H29N3O2/c46-28-29-12-9-17-32(26-29)33-24-25-39-37(27-33)35-18-7-8-21-38(35)47(39)41-23-11-20-36-43(41)45(50)48(44(36)49)40-22-10-19-34(30-13-3-1-4-14-30)42(40)31-15-5-2-6-16-31/h1-27,44,49H
InChIKeyJSIJPRKFGMHEGS-UHFFFAOYSA-N
XLogP10.31
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234671
3-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145055650
3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989480
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
CID 134235115
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299
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
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241091
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740

Frequently Asked Questions

What is the IUPAC name of 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile?
The IUPAC name of 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile (CID 134234913) is 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2-c2ccccc2)C3O)c1.
What is the InChIKey of 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile?
The InChIKey is JSIJPRKFGMHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c46-28-29-12-9-17-32(26-29)33-24-25-39-37(27-33)35-18-7-8-21-38(35)47(39)41-23-11-20-36-43(41)45(50)48(44(36)49)40-22-10-19-34(30-13-3-1-4-14-30)42(40)31-15-5-2-6-16-31/h1-27,44,49H.
What are the key properties of 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile?
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile has a molecular weight of 643.75 g/mol, XLogP of 10.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 134234913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).