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

C41H27F3IrN8-4 — CID 140724113

About iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 140724113) has the molecular formula C41H27F3IrN8-4 and a molecular weight of 880.93 g/mol. Its IUPAC name is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide
• PubChem CID: 140724113
• Molecular Formula: C41H27F3IrN8-4
• Molecular Weight: 880.93 g/mol
• Exact Mass: 881.20
• IUPAC Name: iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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)c3nccnc32)c1.[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21
• InChI: InChI=1S/C24H15F3N4.C17H12N4.Ir/c25-24(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;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;/h1-9,11-16H;1-9,11-13H;/q2*-2
• InChIKey: VNDJJHBEGPEEPO-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.93
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide (CID 140724113) is iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-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)c3nccnc32)c1.[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21.

What is the InChIKey of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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 VNDJJHBEGPEEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4.C17H12N4.Ir/c25-24(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;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;/h1-9,11-16H;1-9,11-13H;/q2*-2;.

What are the key properties of iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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-phenyl-2H-imidazo[4,5-b]pyrazin-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 880.93 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-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 140724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).