bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))

C60H56F6N8P2Pt2+2 — CID 58725729

About bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))

bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)) (PubChem CID 58725729) has the molecular formula C60H56F6N8P2Pt2+2 and a molecular weight of 1455.26 g/mol. Its IUPAC name is bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)).

Molecular Properties

• Compound Name: bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))
• PubChem CID: 58725729
• Molecular Formula: C60H56F6N8P2Pt2+2
• Molecular Weight: 1455.26 g/mol
• Exact Mass: 1454.33
• IUPAC Name: bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))
• SMILES: CC(C)(C)c1cc(-c2[n-]cnc2C(F)(F)F)[c-]c(-n2cccn2)c1.CC(C)(C)c1cc(-c2[n-]cnc2C(F)(F)F)[c-]c(-n2cccn2)c1.[Pt+2].[Pt+2].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H24P2.2C17H15F3N4.2Pt/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*1-16(2,3)12-7-11(8-13(9-12)24-6-4-5-23-24)14-15(17(18,19)20)22-10-21-14;;/h1-20H,21-22H2;2*4-7,9-10H,1-3H3;;/q;2*-2;2*+2/p+2
• InChIKey: VELGAIAQVOELAB-UHFFFAOYSA-P
• XLogP: 12.73
• TPSA: 89.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.26
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))?

The IUPAC name of bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)) (CID 58725729) is bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)).

What is the SMILES notation for bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))?

The canonical SMILES for bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)) is CC(C)(C)c1cc(-c2[n-]cnc2C(F)(F)F)[c-]c(-n2cccn2)c1.CC(C)(C)c1cc(-c2[n-]cnc2C(F)(F)F)[c-]c(-n2cccn2)c1.[Pt+2].[Pt+2].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))?

The InChIKey is VELGAIAQVOELAB-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.2C17H15F3N4.2Pt/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*1-16(2,3)12-7-11(8-13(9-12)24-6-4-5-23-24)14-15(17(18,19)20)22-10-21-14;;/h1-20H,21-22H2;2*4-7,9-10H,1-3H3;;/q;2*-2;2*+2/p+2.

What are the key properties of bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))?

bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)) has a molecular weight of 1455.26 g/mol, XLogP of 12.73, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+)) is sourced from PubChem (CID 58725729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).