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

C51H34N2O2 — CID 134234848

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

4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134234848) has the molecular formula C51H34N2O2 and a molecular weight of 706.85 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• PubChem CID: 134234848
• Molecular Formula: C51H34N2O2
• Molecular Weight: 706.85 g/mol
• Exact Mass: 706.26
• IUPAC Name: 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• SMILES: Cc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c2c1
• InChI: InChI=1S/C51H34N2O2/c1-33-16-11-12-23-39(33)37-28-29-41-40-24-13-14-26-45(40)52(47(41)32-37)46-27-15-25-42-48(46)51(55)53(50(42)54)49-43(35-19-7-3-8-20-35)30-38(34-17-5-2-6-18-34)31-44(49)36-21-9-4-10-22-36/h2-32H,1H3
• InChIKey: SYCAHNOTQIRSEJ-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.85
LogP ≤ 5	12.56
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-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134234848) is 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

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

The canonical SMILES for 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is Cc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c2c1.

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

The InChIKey is SYCAHNOTQIRSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O2/c1-33-16-11-12-23-39(33)37-28-29-41-40-24-13-14-26-45(40)52(47(41)32-37)46-27-15-25-42-48(46)51(55)53(50(42)54)49-43(35-19-7-3-8-20-35)30-38(34-17-5-2-6-18-34)31-44(49)36-21-9-4-10-22-36/h2-32H,1H3.

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

4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 706.85 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).