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

C34H37F3N6OsP2+2 — CID 58240128

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

bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 58240128) has the molecular formula C34H37F3N6OsP2+2 and a molecular weight of 838.88 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 58240128
• Molecular Formula: C34H37F3N6OsP2+2
• Molecular Weight: 838.88 g/mol
• Exact Mass: 840.21
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Os+2]
• InChI: InChI=1S/C9H5F3N3.C9H8N3.2C8H11P.Os/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;/h1-5H;2-6H,1H3;2*3-7H,1-2H3;/q2*-1;;;+2/p+2
• InChIKey: QVMQOSQRKVXHEU-UHFFFAOYSA-P
• XLogP: 7.10
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.88
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 58240128) is bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

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

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Os+2].

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

The InChIKey is QVMQOSQRKVXHEU-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H5F3N3.C9H8N3.2C8H11P.Os/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;/h1-5H;2-6H,1H3;2*3-7H,1-2H3;/q2*-1;;;+2/p+2.

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

bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 838.88 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 58240128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).