2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione

C45H30N2O2 — CID 134233958

About 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione

2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 134233958) has the molecular formula C45H30N2O2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
• PubChem CID: 134233958
• Molecular Formula: C45H30N2O2
• Molecular Weight: 630.75 g/mol
• Exact Mass: 630.23
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
• SMILES: Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)cc1
• InChI: InChI=1S/C45H30N2O2/c1-29-19-21-32(22-20-29)33-23-24-38-37-15-8-9-17-40(37)47(42(38)28-33)41-18-10-16-39-43(41)45(49)46(44(39)48)36-26-34(30-11-4-2-5-12-30)25-35(27-36)31-13-6-3-7-14-31/h2-28H,1H3
• InChIKey: PNXMEIUVOSAOCM-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.75
LogP ≤ 5	10.89
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 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?

The IUPAC name of 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione (CID 134233958) is 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?

The InChIKey is PNXMEIUVOSAOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O2/c1-29-19-21-32(22-20-29)33-23-24-38-37-15-8-9-17-40(37)47(42(38)28-33)41-18-10-16-39-43(41)45(49)46(44(39)48)36-26-34(30-11-4-2-5-12-30)25-35(27-36)31-13-6-3-7-14-31/h2-28H,1H3.

What are the key properties of 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?

2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 630.75 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 134233958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).