4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione

C36H22N4O2 — CID 158393455

IUPAC4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C36H22N4O2/c41-35-28-11-8-14-31(34(28)36(42)39(35)25-9-2-1-3-10-25)40-32-21-23(29-12-4-6-19-37-29)15-17-26(32)27-18-16-24(22-33(27)40)30-13-5-7-20-38-30/h1-22H
InChIKeyKKJGEQYBOFKOGG-UHFFFAOYSA-N
MW542.60 g/mol
LogP7.71
Rot. Bonds4

About 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione

4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione (PubChem CID 158393455) has the molecular formula C36H22N4O2 and a molecular weight of 542.60 g/mol. Its IUPAC name is 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
PubChem CID158393455
Molecular FormulaC36H22N4O2
Molecular Weight542.60 g/mol
Exact Mass542.17
IUPAC Name4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C36H22N4O2/c41-35-28-11-8-14-31(34(28)36(42)39(35)25-9-2-1-3-10-25)40-32-21-23(29-12-4-6-19-37-29)15-17-26(32)27-18-16-24(22-33(27)40)30-13-5-7-20-38-30/h1-22H
InChIKeyKKJGEQYBOFKOGG-UHFFFAOYSA-N
XLogP7.71
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-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-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;4-(3,6-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;2-phenyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-phenyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 158393453
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161213383
4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 118972432
ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280561
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
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-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione (CID 158393455) is 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C(=O)N1c1ccccc1.
What is the InChIKey of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The InChIKey is KKJGEQYBOFKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2/c41-35-28-11-8-14-31(34(28)36(42)39(35)25-9-2-1-3-10-25)40-32-21-23(29-12-4-6-19-37-29)15-17-26(32)27-18-16-24(22-33(27)40)30-13-5-7-20-38-30/h1-22H.
What are the key properties of 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione has a molecular weight of 542.60 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 158393455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).