zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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

C52H30F6N4O4Zn — CID 164834198

About zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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 164834198) has the molecular formula C52H30F6N4O4Zn and a molecular weight of 954.21 g/mol. Its IUPAC name is zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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: 164834198
• Molecular Formula: C52H30F6N4O4Zn
• Molecular Weight: 954.21 g/mol
• Exact Mass: 952.15
• IUPAC Name: zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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\CC2OC(c3ccccc3)=CC2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.[Zn+2]
• InChI: InChI=1S/C26H16F3N2O2.C26H14F3N2O2.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;/h1-13,24H,14H2;1-14H;/q2*-1;+2/b25-20+;25-19+
• InChIKey: VSGKKMQQGFEHDD-DCPBFDHJSA-N
• XLogP: 12.32
• TPSA: 101.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.21
LogP ≤ 5	12.32
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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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 164834198) is zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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\CC2OC(c3ccccc3)=CC2=N1)c1cc2oc(-c3ccccc3)cc2[n-]1.[Zn+2].

What is the InChIKey of zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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 VSGKKMQQGFEHDD-DCPBFDHJSA-N. The full InChI is InChI=1S/C26H16F3N2O2.C26H14F3N2O2.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;/h1-13,24H,14H2;1-14H;/q2*-1;+2/b25-20+;25-19+;.

What are the key properties of zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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 954.21 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;2-phenyl-5-[(1E)-2,2,2-trifluoro-1-(2-phenyl-6,6a-dihydrofuro[3,2-b]pyrrol-5-ylidene)ethyl]furo[3,2-b]pyrrol-4-ide;(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 164834198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).