[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate

C32H23NO7 — CID 23907240

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 23907240) has the molecular formula C32H23NO7 and a molecular weight of 533.54 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
• PubChem CID: 23907240
• Molecular Formula: C32H23NO7
• Molecular Weight: 533.54 g/mol
• Exact Mass: 533.15
• IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
• SMILES: CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(-c5ccccc5)cc4)cc3C2=O)cc1
• InChI: InChI=1S/C32H23NO7/c1-2-39-31(37)23-12-15-25(16-13-23)33-29(35)26-17-14-24(18-27(26)30(33)36)32(38)40-19-28(34)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-18H,2,19H2,1H3
• InChIKey: HCNHLBIOQKPRCS-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 107.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate?

The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate (CID 23907240) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate.

What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate?

The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate is CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(-c5ccccc5)cc4)cc3C2=O)cc1.

What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate?

The InChIKey is HCNHLBIOQKPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO7/c1-2-39-31(37)23-12-15-25(16-13-23)33-29(35)26-17-14-24(18-27(26)30(33)36)32(38)40-19-28(34)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-18H,2,19H2,1H3.

What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate?

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 533.54 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 23907240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).