2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum

C83H70IrN6OPtSi- — CID 157368093

About 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum

2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum (PubChem CID 157368093) has the molecular formula C83H70IrN6OPtSi- and a molecular weight of 1582.89 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum
• PubChem CID: 157368093
• Molecular Formula: C83H70IrN6OPtSi-
• Molecular Weight: 1582.89 g/mol
• Exact Mass: 1582.47
• IUPAC Name: 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum
• SMILES: Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)cccc21.[Ir+3].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1
• InChI: InChI=1S/C32H34N3OSi.3C17H12N.Ir.Pt/c1-32(2,3)23-18-21(17-22(19-23)27-16-15-24(20-33-27)37(5,6)7)25-12-10-13-28-30(25)34-31(35(28)4)26-11-8-9-14-29(26)36;3*1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;/h8-16,18-20,36H,1-7H3;3*1-9,11-13H;;/q4*-1;+3
• InChIKey: BOWPCJVUFQCVIG-UHFFFAOYSA-N
• XLogP: 19.96
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1582.89
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum (CID 157368093) is 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum is Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)cccc21.[Ir+3].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.

What is the InChIKey of 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum?

The InChIKey is BOWPCJVUFQCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N3OSi.3C17H12N.Ir.Pt/c1-32(2,3)23-18-21(17-22(19-23)27-16-15-24(20-33-27)37(5,6)7)25-12-10-13-28-30(25)34-31(35(28)4)26-11-8-9-14-29(26)36;3*1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;/h8-16,18-20,36H,1-7H3;3*1-9,11-13H;;/q4*-1;+3;.

What are the key properties of 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum?

2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum has a molecular weight of 1582.89 g/mol, XLogP of 19.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;iridium(3+);tris(2-(3-phenylbenzene-6-id-1-yl)pyridine);platinum is sourced from PubChem (CID 157368093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).