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

C34H34F6N6OsP2+2 — CID 138114787

IUPACbis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Os+2]
InChIInChI=1S/2C9H5F3N3.2C8H11P.Os/c2*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;/h2*1-5H;2*3-7H,1-2H3;/q2*-1;;;+2/p+2
InChIKeyVQQKEPBXRDHJOO-UHFFFAOYSA-P
MW892.85 g/mol
LogP7.81
Rot. Bonds4

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

bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine) (PubChem CID 138114787) has the molecular formula C34H34F6N6OsP2+2 and a molecular weight of 892.85 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine).

Molecular Properties

Compound Namebis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)
PubChem CID138114787
Molecular FormulaC34H34F6N6OsP2+2
Molecular Weight892.85 g/mol
Exact Mass894.18
IUPAC Namebis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Os+2]
InChIInChI=1S/2C9H5F3N3.2C8H11P.Os/c2*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;/h2*1-5H;2*3-7H,1-2H3;/q2*-1;;;+2/p+2
InChIKeyVQQKEPBXRDHJOO-UHFFFAOYSA-P
XLogP7.81
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.85
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)?
The IUPAC name of bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine) (CID 138114787) is bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine).
What is the SMILES notation for bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)?
The canonical SMILES for bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine) is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Os+2].
What is the InChIKey of bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)?
The InChIKey is VQQKEPBXRDHJOO-UHFFFAOYSA-P. The full InChI is InChI=1S/2C9H5F3N3.2C8H11P.Os/c2*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;/h2*1-5H;2*3-7H,1-2H3;/q2*-1;;;+2/p+2.
What are the key properties of bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine)?
bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine) has a molecular weight of 892.85 g/mol, XLogP of 7.81, 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);osmium(2+);bis(2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine) is sourced from PubChem (CID 138114787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).