3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione

C32H30N4O3 — CID 11692096

About 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione (PubChem CID 11692096) has the molecular formula C32H30N4O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione
• PubChem CID: 11692096
• Molecular Formula: C32H30N4O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.23
• IUPAC Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione
• SMILES: CN(C)CCCn1cc(C2=C(n3ccc4cc(OCc5ccccc5)ccc43)C(=O)NC2=O)c2ccccc21
• InChI: InChI=1S/C32H30N4O3/c1-34(2)16-8-17-35-20-26(25-11-6-7-12-28(25)35)29-30(32(38)33-31(29)37)36-18-15-23-19-24(13-14-27(23)36)39-21-22-9-4-3-5-10-22/h3-7,9-15,18-20H,8,16-17,21H2,1-2H3,(H,33,37,38)
• InChIKey: QGKAIXUWUICBEP-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 68.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione?

The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione (CID 11692096) is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione.

What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione?

The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(n3ccc4cc(OCc5ccccc5)ccc43)C(=O)NC2=O)c2ccccc21.

What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione?

The InChIKey is QGKAIXUWUICBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3/c1-34(2)16-8-17-35-20-26(25-11-6-7-12-28(25)35)29-30(32(38)33-31(29)37)36-18-15-23-19-24(13-14-27(23)36)39-21-22-9-4-3-5-10-22/h3-7,9-15,18-20H,8,16-17,21H2,1-2H3,(H,33,37,38).

What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione?

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione has a molecular weight of 518.62 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11692096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).