1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione

C49H34N4O10 — CID 161283291

About 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione

1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione (PubChem CID 161283291) has the molecular formula C49H34N4O10 and a molecular weight of 838.83 g/mol. Its IUPAC name is 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione
• PubChem CID: 161283291
• Molecular Formula: C49H34N4O10
• Molecular Weight: 838.83 g/mol
• Exact Mass: 838.23
• IUPAC Name: 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione
• SMILES: CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1.O=C1C=C(c2cccc(C3=CC(=O)NC3=O)c2)C(=O)N1
• InChI: InChI=1S/C35H26N2O6.C14H8N2O4/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41;17-11-5-9(13(19)15-11)7-2-1-3-8(4-7)10-6-12(18)16-14(10)20/h3-22H,1-2H3;1-6H,(H,15,17,19)(H,16,18,20)
• InChIKey: VFJMPYXSXSXVHF-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 185.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.83
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione?

The IUPAC name of 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione (CID 161283291) is 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione.

What is the SMILES notation for 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione?

The canonical SMILES for 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione is CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1.O=C1C=C(c2cccc(C3=CC(=O)NC3=O)c2)C(=O)N1.

What is the InChIKey of 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione?

The InChIKey is VFJMPYXSXSXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O6.C14H8N2O4/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41;17-11-5-9(13(19)15-11)7-2-1-3-8(4-7)10-6-12(18)16-14(10)20/h3-22H,1-2H3;1-6H,(H,15,17,19)(H,16,18,20).

What are the key properties of 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione?

1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 838.83 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 161283291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).