pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide

C107H83F6Ir5N13-10 — CID 158329575

About pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide

pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 158329575) has the molecular formula C107H83F6Ir5N13-10 and a molecular weight of 2626.00 g/mol. Its IUPAC name is pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 158329575
• Molecular Formula: C107H83F6Ir5N13-10
• Molecular Weight: 2626.00 g/mol
• Exact Mass: 2628.50
• IUPAC Name: pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: Cc1c(-c2ccccc2)cccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccc(C(F)(F)F)c21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccc(C(F)(F)F)c21.Cc1cnc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C25H19N3.C21H15F3N2.C21H18N2.C20H14F3N3.C20H17N3.5Ir/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;1-16-12-13-20-21(14-16)22(18-9-4-3-5-10-18)15-23(20)19-11-7-6-8-17(19)2;1-14-7-5-6-10-17(14)26-13-25(15-8-3-2-4-9-15)19-18(26)16(11-12-24-19)20(21,22)23;1-15-12-19-20(21-13-15)23(18-11-7-6-8-16(18)2)14-22(19)17-9-4-3-5-10-17;;;;;/h2-12,14-18H,1H3;2-9,11-14H,1H3;3-9,11-15H,1-2H3;2-8,10-13H,1H3;3-9,11-14H,1-2H3;;;;;/q5*-2
• InChIKey: UWAQXBVFCSUMCP-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 71.07 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.00
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide (CID 158329575) is pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide is Cc1c(-c2ccccc2)cccc1N1[CH-]N(c2[c-]cccc2)c2ncccc21.Cc1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccc(C(F)(F)F)c21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccc(C(F)(F)F)c21.Cc1cnc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is UWAQXBVFCSUMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3.C21H15F3N2.C21H18N2.C20H14F3N3.C20H17N3.5Ir/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;1-16-12-13-20-21(14-16)22(18-9-4-3-5-10-18)15-23(20)19-11-7-6-8-17(19)2;1-14-7-5-6-10-17(14)26-13-25(15-8-3-2-4-9-15)19-18(26)16(11-12-24-19)20(21,22)23;1-15-12-19-20(21-13-15)23(18-11-7-6-8-16(18)2)14-22(19)17-9-4-3-5-10-17;;;;;/h2-12,14-18H,1H3;2-9,11-14H,1H3;3-9,11-15H,1-2H3;2-8,10-13H,1H3;3-9,11-14H,1-2H3;;;;;/q5*-2;;;;;.

What are the key properties of pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide?

pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 2626.00 g/mol, XLogP of 28.52, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;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-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 158329575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).