iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide

C50H32F6IrN6-4 — CID 140724037

About iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide

iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 140724037) has the molecular formula C50H32F6IrN6-4 and a molecular weight of 1023.05 g/mol. Its IUPAC name is iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide.

Molecular Properties

• Compound Name: iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
• PubChem CID: 140724037
• Molecular Formula: C50H32F6IrN6-4
• Molecular Weight: 1023.05 g/mol
• Exact Mass: 1023.22
• IUPAC Name: iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
• SMILES: FC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.FC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3nccnc32)c1.[Ir]
• InChI: InChI=1S/C26H17F3N2.C24H15F3N4.Ir/c27-26(28,29)23-14-5-4-13-22(23)19-9-8-12-21(17-19)31-18-30(20-10-2-1-3-11-20)24-15-6-7-16-25(24)31;25-24(26,27)21-12-5-4-11-20(21)17-7-6-10-19(15-17)31-16-30(18-8-2-1-3-9-18)22-23(31)29-14-13-28-22;/h1-11,13-18H;1-9,11-16H;/q2*-2
• InChIKey: BPBRKTLVNUVRTA-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 38.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.05
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?

The IUPAC name of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (CID 140724037) is iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide.

What is the SMILES notation for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?

The canonical SMILES for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide is FC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3ccccc32)c1.FC(F)(F)c1ccccc1-c1cc[c-]c(N2[CH-]N(c3ccccc3)c3nccnc32)c1.[Ir].

What is the InChIKey of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?

The InChIKey is BPBRKTLVNUVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2.C24H15F3N4.Ir/c27-26(28,29)23-14-5-4-13-22(23)19-9-8-12-21(17-19)31-18-30(20-10-2-1-3-11-20)24-15-6-7-16-25(24)31;25-24(26,27)21-12-5-4-11-20(21)17-7-6-10-19(15-17)31-16-30(18-8-2-1-3-9-18)22-23(31)29-14-13-28-22;/h1-11,13-18H;1-9,11-16H;/q2*-2;.

What are the key properties of iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide?

iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide has a molecular weight of 1023.05 g/mol, XLogP of 13.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-benzimidazol-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide is sourced from PubChem (CID 140724037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).