4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione

C44H28N2O2 — CID 134233887

IUPAC4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C44H28N2O2/c47-43-38-20-11-21-39(42(38)44(48)45(43)35-19-10-18-32(26-35)29-12-4-1-5-13-29)46-40-27-33(30-14-6-2-7-15-30)22-24-36(40)37-25-23-34(28-41(37)46)31-16-8-3-9-17-31/h1-28H
InChIKeyONJKVUOHLIWKBY-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.59
Rot. Bonds5

About 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione

4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 134233887) has the molecular formula C44H28N2O2 and a molecular weight of 616.72 g/mol. Its IUPAC name is 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID134233887
Molecular FormulaC44H28N2O2
Molecular Weight616.72 g/mol
Exact Mass616.22
IUPAC Name4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C44H28N2O2/c47-43-38-20-11-21-39(42(38)44(48)45(43)35-19-10-18-32(26-35)29-12-4-1-5-13-29)46-40-27-33(30-14-6-2-7-15-30)22-24-36(40)37-25-23-34(28-41(37)46)31-16-8-3-9-17-31/h1-28H
InChIKeyONJKVUOHLIWKBY-UHFFFAOYSA-N
XLogP10.59
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione 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-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234085
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 158393455
2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione (CID 134233887) is 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is ONJKVUOHLIWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O2/c47-43-38-20-11-21-39(42(38)44(48)45(43)35-19-10-18-32(26-35)29-12-4-1-5-13-29)46-40-27-33(30-14-6-2-7-15-30)22-24-36(40)37-25-23-34(28-41(37)46)31-16-8-3-9-17-31/h1-28H.
What are the key properties of 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 616.72 g/mol, XLogP of 10.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).