bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))

C60H54F6N8O2P2Pt2 — CID 58725728

About bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))

bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+)) (PubChem CID 58725728) has the molecular formula C60H54F6N8O2P2Pt2 and a molecular weight of 1485.24 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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))
• PubChem CID: 58725728
• Molecular Formula: C60H54F6N8O2P2Pt2
• Molecular Weight: 1485.24 g/mol
• Exact Mass: 1484.30
• IUPAC Name: bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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.O=P(CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C26H24O2P2.2C17H15F3N4.2Pt/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(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
• InChIKey: NEEQCOWEUICPFQ-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 123.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1485.24
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+)) (CID 58725728) is bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;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.O=P(CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pt+2].[Pt+2].

What is the InChIKey of bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))?

The InChIKey is NEEQCOWEUICPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2P2.2C17H15F3N4.2Pt/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(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.

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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))?

bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+)) has a molecular weight of 1485.24 g/mol, XLogP of 13.03, 11 rotatable bonds, 0 hydrogen bond donors, and 8 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-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+)) is sourced from PubChem (CID 58725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).