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

C52H36N2O2 — CID 134234174

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

4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134234174) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
• PubChem CID: 134234174
• Molecular Formula: C52H36N2O2
• Molecular Weight: 720.87 g/mol
• Exact Mass: 720.28
• IUPAC Name: 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
• SMILES: Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cccc1-c1ccccc1)C2=O
• InChI: InChI=1S/C52H36N2O2/c1-33-15-9-11-21-39(33)37-27-29-46-44(31-37)45-32-38(40-22-12-10-16-34(40)2)28-30-47(45)53(46)48-26-14-25-43-49(48)52(56)54(51(43)55)50-41(35-17-5-3-6-18-35)23-13-24-42(50)36-19-7-4-8-20-36/h3-32H,1-2H3
• InChIKey: FGWJVKQQYNQSNE-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.87
LogP ≤ 5	12.87
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-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (CID 134234174) is 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

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

The canonical SMILES for 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cccc1-c1ccccc1)C2=O.

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

The InChIKey is FGWJVKQQYNQSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-33-15-9-11-21-39(33)37-27-29-46-44(31-37)45-32-38(40-22-12-10-16-34(40)2)28-30-47(45)53(46)48-26-14-25-43-49(48)52(56)54(51(43)55)50-41(35-17-5-3-6-18-35)23-13-24-42(50)36-19-7-4-8-20-36/h3-32H,1-2H3.

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

4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 720.87 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).