1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide

C75H56Ir3N8-6 — CID 158893903

About 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide

1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 158893903) has the molecular formula C75H56Ir3N8-6 and a molecular weight of 1645.98 g/mol. Its IUPAC name is 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 158893903
• Molecular Formula: C75H56Ir3N8-6
• Molecular Weight: 1645.98 g/mol
• Exact Mass: 1647.35
• IUPAC Name: 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: Cc1ccccc1-c1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2-c2ccccc2)c2cccnc21.[c-]1ccccc1N1[CH-]N(c2ccccc2-c2ccccc2)c2ncccc21
• InChI: InChI=1S/C27H22N2.2C24H17N3.3Ir/c1-20-10-6-8-14-24(20)22-16-17-26-27(18-22)28(23-12-4-3-5-13-23)19-29(26)25-15-9-7-11-21(25)2;1-3-10-19(11-4-1)21-14-7-8-15-22(21)27-18-26(20-12-5-2-6-13-20)24-23(27)16-9-17-25-24;1-3-10-19(11-4-1)21-14-7-8-15-22(21)27-18-26(20-12-5-2-6-13-20)23-16-9-17-25-24(23)27;;;/h3-12,14-19H,1-2H3;2*1-12,14-18H;;;/q3*-2
• InChIKey: QJWSBQNFLYARAG-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 45.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1645.98
LogP ≤ 5	19.09
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 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide (CID 158893903) is 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide is Cc1ccccc1-c1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2-c2ccccc2)c2cccnc21.[c-]1ccccc1N1[CH-]N(c2ccccc2-c2ccccc2)c2ncccc21.

What is the InChIKey of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is QJWSBQNFLYARAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2.2C24H17N3.3Ir/c1-20-10-6-8-14-24(20)22-16-17-26-27(18-22)28(23-12-4-3-5-13-23)19-29(26)25-15-9-7-11-21(25)2;1-3-10-19(11-4-1)21-14-7-8-15-22(21)27-18-26(20-12-5-2-6-13-20)24-23(27)16-9-17-25-24;1-3-10-19(11-4-1)21-14-7-8-15-22(21)27-18-26(20-12-5-2-6-13-20)23-16-9-17-25-24(23)27;;;/h3-12,14-19H,1-2H3;2*1-12,14-18H;;;/q3*-2;;;.

What are the key properties of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide?

1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 1645.98 g/mol, XLogP of 19.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 158893903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).