pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide

C108H90F3Ir5N15-10 — CID 159103419

About pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide

pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 159103419) has the molecular formula C108H90F3Ir5N15-10 and a molecular weight of 2616.09 g/mol. Its IUPAC name is pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 159103419
• Molecular Formula: C108H90F3Ir5N15-10
• Molecular Weight: 2616.09 g/mol
• Exact Mass: 2618.57
• IUPAC Name: pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccnc21.CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccnc21.Cc1c(-c2ccccc2)cccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccc(C(F)(F)F)c21.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C25H19N3.C21H15F3N2.2C21H19N3.C20H18N4.5Ir/c1-19-22(20-10-4-2-5-11-20)14-8-15-23(19)28-18-27(21-12-6-3-7-13-21)25-24(28)16-9-17-26-25;1-15-8-5-6-12-18(15)26-14-25(16-9-3-2-4-10-16)19-13-7-11-17(20(19)26)21(22,23)24;1-16(2)18-11-6-7-12-19(18)24-15-23(17-9-4-3-5-10-17)21-20(24)13-8-14-22-21;1-16(2)18-11-6-7-12-19(18)24-15-23(17-9-4-3-5-10-17)20-13-8-14-22-21(20)24;1-15(2)17-10-6-7-11-18(17)24-14-23(16-8-4-3-5-9-16)19-20(24)22-13-12-21-19;;;;;/h2-12,14-18H,1H3;2-9,11-14H,1H3;2*3-9,11-16H,1-2H3;3-8,10-15H,1-2H3;;;;;/q5*-2
• InChIKey: XZOPPGCWHWQMQP-UHFFFAOYSA-N
• XLogP: 28.11
• TPSA: 96.85 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.09
LogP ≤ 5	28.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide (CID 159103419) is pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide is CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccnc21.CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.CC(C)c1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccnc21.Cc1c(-c2ccccc2)cccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccc(C(F)(F)F)c21.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is XZOPPGCWHWQMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3.C21H15F3N2.2C21H19N3.C20H18N4.5Ir/c1-19-22(20-10-4-2-5-11-20)14-8-15-23(19)28-18-27(21-12-6-3-7-13-21)25-24(28)16-9-17-26-25;1-15-8-5-6-12-18(15)26-14-25(16-9-3-2-4-10-16)19-13-7-11-17(20(19)26)21(22,23)24;1-16(2)18-11-6-7-12-19(18)24-15-23(17-9-4-3-5-10-17)21-20(24)13-8-14-22-21;1-16(2)18-11-6-7-12-19(18)24-15-23(17-9-4-3-5-10-17)20-13-8-14-22-21(20)24;1-15(2)17-10-6-7-11-18(17)24-14-23(16-8-4-3-5-9-16)19-20(24)22-13-12-21-19;;;;;/h2-12,14-18H,1H3;2-9,11-14H,1H3;2*3-9,11-16H,1-2H3;3-8,10-15H,1-2H3;;;;;/q5*-2;;;;;.

What are the key properties of pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 2616.09 g/mol, XLogP of 28.11, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 159103419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).