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

C70H48Br2Cl2N4O12 — CID 159908946

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

1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 159908946) has the molecular formula C70H48Br2Cl2N4O12 and a molecular weight of 1367.88 g/mol. Its IUPAC name is 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
• PubChem CID: 159908946
• Molecular Formula: C70H48Br2Cl2N4O12
• Molecular Weight: 1367.88 g/mol
• Exact Mass: 1364.10
• IUPAC Name: 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
• SMILES: CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Br)c1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Br)c1.CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Cl)c1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Cl)c1
• InChI: InChI=1S/C35H24Br2N2O6.C35H24Cl2N2O6/c2*1-35(2,21-3-13-29(27(36)19-21)44-25-9-5-23(6-10-25)38-31(40)15-16-32(38)41)22-4-14-30(28(37)20-22)45-26-11-7-24(8-12-26)39-33(42)17-18-34(39)43/h2*3-20H,1-2H3
• InChIKey: NWXWOCHRVQARSP-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 186.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.88
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione (CID 159908946) is 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione.

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

The canonical SMILES for 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione is CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Br)c1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Br)c1.CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Cl)c1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)c(Cl)c1.

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

The InChIKey is NWXWOCHRVQARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24Br2N2O6.C35H24Cl2N2O6/c2*1-35(2,21-3-13-29(27(36)19-21)44-25-9-5-23(6-10-25)38-31(40)15-16-32(38)41)22-4-14-30(28(37)20-22)45-26-11-7-24(8-12-26)39-33(42)17-18-34(39)43/h2*3-20H,1-2H3.

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

1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 1367.88 g/mol, XLogP of 15.74, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 159908946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).