4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

C46H32N2O2 — CID 134234405

About 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134234405) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
• PubChem CID: 134234405
• Molecular Formula: C46H32N2O2
• Molecular Weight: 644.77 g/mol
• Exact Mass: 644.25
• IUPAC Name: 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
• SMILES: Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cccc4-c4ccccc4)C5=O)c23)c(C)c1
• InChI: InChI=1S/C46H32N2O2/c1-29-26-27-33(30(2)28-29)37-21-12-22-38-36-18-9-10-24-40(36)47(44(37)38)41-25-13-23-39-42(41)46(50)48(45(39)49)43-34(31-14-5-3-6-15-31)19-11-20-35(43)32-16-7-4-8-17-32/h3-28H,1-2H3
• InChIKey: DITYVUOBFAGXCQ-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.77
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (CID 134234405) is 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cccc4-c4ccccc4)C5=O)c23)c(C)c1.

What is the InChIKey of 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?

The InChIKey is DITYVUOBFAGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-29-26-27-33(30(2)28-29)37-21-12-22-38-36-18-9-10-24-40(36)47(44(37)38)41-25-13-23-39-42(41)46(50)48(45(39)49)43-34(31-14-5-3-6-15-31)19-11-20-35(43)32-16-7-4-8-17-32/h3-28H,1-2H3.

What are the key properties of 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 644.77 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).