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

C43H22F6N4O10 — CID 141170010

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

1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 141170010) has the molecular formula C43H22F6N4O10 and a molecular weight of 868.65 g/mol. Its IUPAC name is 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
• PubChem CID: 141170010
• Molecular Formula: C43H22F6N4O10
• Molecular Weight: 868.65 g/mol
• Exact Mass: 868.12
• IUPAC Name: 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
• SMILES: O=C1C=CC(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)c(N4C(=O)C=CC4=O)c3)(C(F)(F)F)C(F)(F)F)cc2N2C(=O)C=CC2=O)cc1
• InChI: InChI=1S/C43H22F6N4O10/c44-42(45,46)41(43(47,48)49,23-1-11-31(29(21-23)52-37(58)17-18-38(52)59)62-27-7-3-25(4-8-27)50-33(54)13-14-34(50)55)24-2-12-32(30(22-24)53-39(60)19-20-40(53)61)63-28-9-5-26(6-10-28)51-35(56)15-16-36(51)57/h1-22H
• InChIKey: IADMHQVYJSHPNP-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 167.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.65
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
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-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione?

The IUPAC name of 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione (CID 141170010) is 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione.

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

The canonical SMILES for 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)c(N4C(=O)C=CC4=O)c3)(C(F)(F)F)C(F)(F)F)cc2N2C(=O)C=CC2=O)cc1.

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

The InChIKey is IADMHQVYJSHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H22F6N4O10/c44-42(45,46)41(43(47,48)49,23-1-11-31(29(21-23)52-37(58)17-18-38(52)59)62-27-7-3-25(4-8-27)50-33(54)13-14-34(50)55)24-2-12-32(30(22-24)53-39(60)19-20-40(53)61)63-28-9-5-26(6-10-28)51-35(56)15-16-36(51)57/h1-22H.

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

1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 868.65 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 141170010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).