bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine

C96H89F3Ir2N32OsP2+2 — CID 157374867

About bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine

bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine (PubChem CID 157374867) has the molecular formula C96H89F3Ir2N32OsP2+2 and a molecular weight of 2384.60 g/mol. Its IUPAC name is bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine.

Molecular Properties

• Compound Name: bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine
• PubChem CID: 157374867
• Molecular Formula: C96H89F3Ir2N32OsP2+2
• Molecular Weight: 2384.60 g/mol
• Exact Mass: 2386.62
• IUPAC Name: bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine
• SMILES: C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Ir+3].[Ir+3].[Os+2]
• InChI: InChI=1S/C26H22P2.2C11H13N4.C8H4F3N4.5C8H7N4.2Ir.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-11(2,3)10-6-9(14-15-10)8-4-5-12-7-13-8;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;5*1-6-4-8(12-11-6)7-2-3-9-5-10-7;;;/h1-22H;2*4-7H,1-3H3;1-4H;5*2-5H,1H3;;;/q;8*-1;2*+3;+2/p+2
• InChIKey: RVBIZBBQBSBFQF-UHFFFAOYSA-P
• XLogP: 14.30
• TPSA: 422.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.60
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine?

The IUPAC name of bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine (CID 157374867) is bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine.

What is the SMILES notation for bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine?

The canonical SMILES for bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine is C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.Cc1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Ir+3].[Ir+3].[Os+2].

What is the InChIKey of bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine?

The InChIKey is RVBIZBBQBSBFQF-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H22P2.2C11H13N4.C8H4F3N4.5C8H7N4.2Ir.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-11(2,3)10-6-9(14-15-10)8-4-5-12-7-13-8;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;5*1-6-4-8(12-11-6)7-2-3-9-5-10-7;;;/h1-22H;2*4-7H,1-3H3;1-4H;5*2-5H,1H3;;;/q;8*-1;2*+3;+2/p+2.

What are the key properties of bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine?

bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine has a molecular weight of 2384.60 g/mol, XLogP of 14.30, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(iridium(3+));pentakis(4-(5-methylpyrazol-2-id-3-yl)pyrimidine);osmium(2+);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine is sourced from PubChem (CID 157374867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).