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

C64H64F6N8OsP2+2 — CID 155769392

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

bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium) (PubChem CID 155769392) has the molecular formula C64H64F6N8OsP2+2 and a molecular weight of 1311.44 g/mol. Its IUPAC name is bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium).

Molecular Properties

• Compound Name: bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium)
• PubChem CID: 155769392
• Molecular Formula: C64H64F6N8OsP2+2
• Molecular Weight: 1311.44 g/mol
• Exact Mass: 1312.42
• IUPAC Name: bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium)
• 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.[Os+2].c1ccc([PH+]2CCCC2)cc1.c1ccc([PH+]2CCCC2)cc1
• InChI: InChI=1S/2C22H18F3N4.2C10H13P.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*1-2-6-10(7-3-1)11-8-4-5-9-11;/h2*3-9,11-13H,10H2,1-2H3;2*1-3,6-7H,4-5,8-9H2;/q2*-1;;;+2/p+2
• InChIKey: HBRBSBAHILGDKH-UHFFFAOYSA-P
• XLogP: 15.70
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1311.44
LogP ≤ 5	15.70
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(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium)?

The IUPAC name of bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium) (CID 155769392) is bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium).

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

The canonical SMILES for bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium) 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.[Os+2].c1ccc([PH+]2CCCC2)cc1.c1ccc([PH+]2CCCC2)cc1.

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

The InChIKey is HBRBSBAHILGDKH-UHFFFAOYSA-P. The full InChI is InChI=1S/2C22H18F3N4.2C10H13P.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*1-2-6-10(7-3-1)11-8-4-5-9-11;/h2*3-9,11-13H,10H2,1-2H3;2*1-3,6-7H,4-5,8-9H2;/q2*-1;;;+2/p+2.

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

bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium) has a molecular weight of 1311.44 g/mol, XLogP of 15.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-(2-methylpropyl)-4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline);osmium(2+);bis(1-phenylphospholan-1-ium) is sourced from PubChem (CID 155769392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).