bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C35H34F6N5OsP2- — CID 140618327

About bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140618327) has the molecular formula C35H34F6N5OsP2- and a molecular weight of 890.86 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 140618327
• Molecular Formula: C35H34F6N5OsP2-
• Molecular Weight: 890.86 g/mol
• Exact Mass: 892.18
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.FC(F)(F)c1cc(-c2[c-]cccc2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Os]
• InChI: InChI=1S/C10H5F3N2.C9H5F3N3.2C8H11P.Os/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-9(2)8-6-4-3-5-7-8;/h1-4,6H;1-5H;2*3-7H,1-2H3;/q-2;-1;;;/p+2
• InChIKey: FCSFORZLOIFWKG-UHFFFAOYSA-P
• XLogP: 8.21
• TPSA: 66.87 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.86
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140618327) is bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.FC(F)(F)c1cc(-c2[c-]cccc2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Os].

What is the InChIKey of bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is FCSFORZLOIFWKG-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H5F3N2.C9H5F3N3.2C8H11P.Os/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-9(2)8-6-4-3-5-7-8;/h1-4,6H;1-5H;2*3-7H,1-2H3;/q-2;-1;;;/p+2.

What are the key properties of bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 890.86 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);osmium;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140618327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).