bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)

C70H64F6N8OsP2+2 — CID 155769393

About bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)

bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+) (PubChem CID 155769393) has the molecular formula C70H64F6N8OsP2+2 and a molecular weight of 1383.50 g/mol. Its IUPAC name is bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+).

Molecular Properties

• Compound Name: bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)
• PubChem CID: 155769393
• Molecular Formula: C70H64F6N8OsP2+2
• Molecular Weight: 1383.50 g/mol
• Exact Mass: 1384.42
• IUPAC Name: bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)
• SMILES: CC(C)Cc1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)ncnc2c1.CC(C)Cc1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)ncnc2c1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2]
• InChI: InChI=1S/2C22H18F3N4.2C13H13P.Os/c2*1-13(2)10-14-8-9-16-17(11-14)26-12-27-19(16)20-18(15-6-4-3-5-7-15)21(29-28-20)22(23,24)25;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*3-9,11-13H,10H2,1-2H3;2*2-11H,1H3;/q2*-1;;;+2/p+2
• InChIKey: PBHPQTIDZHAVOY-UHFFFAOYSA-P
• XLogP: 16.03
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.50
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)?

The IUPAC name of bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+) (CID 155769393) is bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+).

What is the SMILES notation for bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)?

The canonical SMILES for bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+) is CC(C)Cc1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)ncnc2c1.CC(C)Cc1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)ncnc2c1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2].

What is the InChIKey of bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)?

The InChIKey is PBHPQTIDZHAVOY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C22H18F3N4.2C13H13P.Os/c2*1-13(2)10-14-8-9-16-17(11-14)26-12-27-19(16)20-18(15-6-4-3-5-7-15)21(29-28-20)22(23,24)25;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2*3-9,11-13H,10H2,1-2H3;2*2-11H,1H3;/q2*-1;;;+2/p+2.

What are the key properties of bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+)?

bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+) has a molecular weight of 1383.50 g/mol, XLogP of 16.03, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(methyl(diphenyl)phosphanium);bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+) is sourced from PubChem (CID 155769393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).