2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)

C59H55IrN5OPt-2 — CID 153276447

About 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)

2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) (PubChem CID 153276447) has the molecular formula C59H55IrN5OPt-2 and a molecular weight of 1237.42 g/mol. Its IUPAC name is 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
• PubChem CID: 153276447
• Molecular Formula: C59H55IrN5OPt-2
• Molecular Weight: 1237.42 g/mol
• Exact Mass: 1237.37
• IUPAC Name: 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
• SMILES: CC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2nccnc2-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cccc4C(C)C)ccc3)ccc2)cc(C)c1.[Ir].[Pt+2]
• InChI: InChI=1S/C43H37N4O.C16H18N.Ir.Pt/c1-27(2)36-16-11-17-37(28(3)4)42(36)47-39-19-8-7-18-38(39)46-43(47)32-13-10-15-35(26-32)48-34-14-9-12-31(25-34)40-41(45-21-20-44-40)33-23-29(5)22-30(6)24-33;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h7-23,27-28H,1-6H3;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2
• InChIKey: PRXROLDYALROTC-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.42
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?

The IUPAC name of 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) (CID 153276447) is 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+).

What is the SMILES notation for 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?

The canonical SMILES for 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) is CC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2nccnc2-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4c(C(C)C)cccc4C(C)C)ccc3)ccc2)cc(C)c1.[Ir].[Pt+2].

What is the InChIKey of 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?

The InChIKey is PRXROLDYALROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N4O.C16H18N.Ir.Pt/c1-27(2)36-16-11-17-37(28(3)4)42(36)47-39-19-8-7-18-38(39)46-43(47)32-13-10-15-35(26-32)48-34-14-9-12-31(25-34)40-41(45-21-20-44-40)33-23-29(5)22-30(6)24-33;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h7-23,27-28H,1-6H3;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2.

What are the key properties of 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?

2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) has a molecular weight of 1237.42 g/mol, XLogP of 15.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-(3,5-dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) is sourced from PubChem (CID 153276447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).