1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide

C64H57IrN11OPt-8 — CID 165377303

About 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide

1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide (PubChem CID 165377303) has the molecular formula C64H57IrN11OPt-8 and a molecular weight of 1383.53 g/mol. Its IUPAC name is 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide.

Molecular Properties

• Compound Name: 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide
• PubChem CID: 165377303
• Molecular Formula: C64H57IrN11OPt-8
• Molecular Weight: 1383.53 g/mol
• Exact Mass: 1383.41
• IUPAC Name: 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide
• SMILES: CC(C)(C)c1c[c-]c(N2[CH-]N(CCCCN3[CH-]N(c4[c-]cc(C(C)(C)C)cc4)c4ccncc43)c3cnccc32)cc1.[Ir].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]cccn3)ncc2)cccc1N1[CH-]N(c2ccccn2)c2ccccc21
• InChI: InChI=1S/C36H40N6.C28H17N5O.Ir.Pt/c1-35(2,3)27-9-13-29(14-10-27)41-25-39(33-23-37-19-17-31(33)41)21-7-8-22-40-26-42(32-18-20-38-24-34(32)40)30-15-11-28(12-16-30)36(4,5)6;1-2-12-27-26(11-1)32(20-33(27)28-13-4-6-16-31-28)21-8-7-9-22(18-21)34-23-14-17-30-25(19-23)24-10-3-5-15-29-24;;/h9-13,15,17-20,23-26H,7-8,21-22H2,1-6H3;1-9,11-17,20H;;/q2*-4
• InChIKey: DRFWHGDITNSFJH-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 93.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.53
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide?

The IUPAC name of 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide (CID 165377303) is 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide.

What is the SMILES notation for 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide?

The canonical SMILES for 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide is CC(C)(C)c1c[c-]c(N2[CH-]N(CCCCN3[CH-]N(c4[c-]cc(C(C)(C)C)cc4)c4ccncc43)c3cnccc32)cc1.[Ir].[Pt].[c-]1c(Oc2[c-]c(-c3[c-]cccn3)ncc2)cccc1N1[CH-]N(c2ccccn2)c2ccccc21.

What is the InChIKey of 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide?

The InChIKey is DRFWHGDITNSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6.C28H17N5O.Ir.Pt/c1-35(2,3)27-9-13-29(14-10-27)41-25-39(33-23-37-19-17-31(33)41)21-7-8-22-40-26-42(32-18-20-38-24-34(32)40)30-15-11-28(12-16-30)36(4,5)6;1-2-12-27-26(11-1)32(20-33(27)28-13-4-6-16-31-28)21-8-7-9-22(18-21)34-23-14-17-30-25(19-23)24-10-3-5-15-29-24;;/h9-13,15,17-20,23-26H,7-8,21-22H2,1-6H3;1-9,11-17,20H;;/q2*-4;;.

What are the key properties of 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide?

1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide has a molecular weight of 1383.53 g/mol, XLogP of 14.44, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide is sourced from PubChem (CID 165377303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).