zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)

C52H28F6N4O4Zn — CID 164594903

About zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)

zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole) (PubChem CID 164594903) has the molecular formula C52H28F6N4O4Zn and a molecular weight of 952.20 g/mol. Its IUPAC name is zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole).

Molecular Properties

• Compound Name: zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)
• PubChem CID: 164594903
• Molecular Formula: C52H28F6N4O4Zn
• Molecular Weight: 952.20 g/mol
• Exact Mass: 950.13
• IUPAC Name: zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)
• SMILES: FC(F)(F)/C(=C1\C=c2oc(-c3ccccc3)cc2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.FC(F)(F)/C(=C1\C=c2oc(-c3ccccc3)cc2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.[Zn+2]
• InChI: InChI=1S/2C26H14F3N2O2.Zn/c2*27-26(28,29)25(19-13-23-17(30-19)11-21(32-23)15-7-3-1-4-8-15)20-14-24-18(31-20)12-22(33-24)16-9-5-2-6-10-16;/h2*1-14H;/q2*-1;+2/b2*25-19+
• InChIKey: GRQXUPDCHZOSBQ-FIOPEBORSA-N
• XLogP: 11.41
• TPSA: 105.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.20
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)?

The IUPAC name of zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole) (CID 164594903) is zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole).

What is the SMILES notation for zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)?

The canonical SMILES for zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole) is FC(F)(F)/C(=C1\C=c2oc(-c3ccccc3)cc2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.FC(F)(F)/C(=C1\C=c2oc(-c3ccccc3)cc2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.[Zn+2].

What is the InChIKey of zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)?

The InChIKey is GRQXUPDCHZOSBQ-FIOPEBORSA-N. The full InChI is InChI=1S/2C26H14F3N2O2.Zn/c2*27-26(28,29)25(19-13-23-17(30-19)11-21(32-23)15-7-3-1-4-8-15)20-14-24-18(31-20)12-22(33-24)16-9-5-2-6-10-16;/h2*1-14H;/q2*-1;+2/b2*25-19+;.

What are the key properties of zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)?

zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole) has a molecular weight of 952.20 g/mol, XLogP of 11.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole) is sourced from PubChem (CID 164594903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).