5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

C33H24N2O5 — CID 90180947

About 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 90180947) has the molecular formula C33H24N2O5 and a molecular weight of 528.56 g/mol. Its IUPAC name is 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
• PubChem CID: 90180947
• Molecular Formula: C33H24N2O5
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.17
• IUPAC Name: 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C)c(C)c1
• InChI: InChI=1S/C33H24N2O5/c1-17-5-9-23(18(2)13-17)24-12-8-22(14-19(24)3)35-32(39)26-11-7-21(16-28(26)33(35)40)29(36)20-6-10-25-27(15-20)31(38)34(4)30(25)37/h5-16H,1-4H3
• InChIKey: OXPQNJHPDALVOE-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 91.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione (CID 90180947) is 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C)c(C)c1.

What is the InChIKey of 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?

The InChIKey is OXPQNJHPDALVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O5/c1-17-5-9-23(18(2)13-17)24-12-8-22(14-19(24)3)35-32(39)26-11-7-21(16-28(26)33(35)40)29(36)20-6-10-25-27(15-20)31(38)34(4)30(25)37/h5-16H,1-4H3.

What are the key properties of 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione?

5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 528.56 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 90180947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).