4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile

C39H23N3O2 — CID 134234366

IUPAC4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc1
InChIInChI=1S/C39H23N3O2/c40-24-25-20-22-27(23-21-25)29-14-8-15-31-30-13-5-7-18-34(30)41(37(29)31)35-19-9-16-32-36(35)39(44)42(38(32)43)33-17-6-4-12-28(33)26-10-2-1-3-11-26/h1-23H
InChIKeyQASQWVQKWVEJPS-UHFFFAOYSA-N
MW565.63 g/mol
LogP8.79
Rot. Bonds4

About 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile

4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile (PubChem CID 134234366) has the molecular formula C39H23N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
PubChem CID134234366
Molecular FormulaC39H23N3O2
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC Name4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc1
InChIInChI=1S/C39H23N3O2/c40-24-25-20-22-27(23-21-25)29-14-8-15-31-30-13-5-7-18-34(30)41(37(29)31)35-19-9-16-32-36(35)39(44)42(38(32)43)33-17-6-4-12-28(33)26-10-2-1-3-11-26/h1-23H
InChIKeyQASQWVQKWVEJPS-UHFFFAOYSA-N
XLogP8.79
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile
CID 142280776
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299
4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
CID 142280762
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
3-[8-(3-cyano-5-isocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]-5-isocyanobenzonitrile
CID 157139884
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241118
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
4-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyanophenyl)carbazol-1-yl]benzonitrile
CID 158897470
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472

Frequently Asked Questions

What is the IUPAC name of 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The IUPAC name of 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile (CID 134234366) is 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The canonical SMILES for 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc1.
What is the InChIKey of 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The InChIKey is QASQWVQKWVEJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O2/c40-24-25-20-22-27(23-21-25)29-14-8-15-31-30-13-5-7-18-34(30)41(37(29)31)35-19-9-16-32-36(35)39(44)42(38(32)43)33-17-6-4-12-28(33)26-10-2-1-3-11-26/h1-23H.
What are the key properties of 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile has a molecular weight of 565.63 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile is sourced from PubChem (CID 134234366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).