osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)

C68H74F6N6OsP2+2 — CID 155769383

About osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)

osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline) (PubChem CID 155769383) has the molecular formula C68H74F6N6OsP2+2 and a molecular weight of 1341.55 g/mol. Its IUPAC name is osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline).

Molecular Properties

• Compound Name: osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)
• PubChem CID: 155769383
• Molecular Formula: C68H74F6N6OsP2+2
• Molecular Weight: 1341.55 g/mol
• Exact Mass: 1342.50
• IUPAC Name: osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)
• SMILES: CC(C)[PH+](c1ccccc1)C(C)C.CC(C)[PH+](c1ccccc1)C(C)C.CC(C)c1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)nccc2c1.CC(C)c1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)nccc2c1.[Os+2]
• InChI: InChI=1S/2C22H17F3N3.2C12H19P.Os/c2*1-13(2)15-8-9-17-16(12-15)10-11-26-19(17)20-18(14-6-4-3-5-7-14)21(28-27-20)22(23,24)25;2*1-10(2)13(11(3)4)12-8-6-5-7-9-12;/h2*3-13H,1-2H3;2*5-11H,1-4H3;/q2*-1;;;+2/p+2
• InChIKey: RQYOBKKWOVGGBM-UHFFFAOYSA-P
• XLogP: 18.81
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.55
LogP ≤ 5	18.81
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 osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)?

The IUPAC name of osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline) (CID 155769383) is osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline).

What is the SMILES notation for osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)?

The canonical SMILES for osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline) is CC(C)[PH+](c1ccccc1)C(C)C.CC(C)[PH+](c1ccccc1)C(C)C.CC(C)c1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)nccc2c1.CC(C)c1ccc2c(-c3[n-]nc(C(F)(F)F)c3-c3ccccc3)nccc2c1.[Os+2].

What is the InChIKey of osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)?

The InChIKey is RQYOBKKWOVGGBM-UHFFFAOYSA-P. The full InChI is InChI=1S/2C22H17F3N3.2C12H19P.Os/c2*1-13(2)15-8-9-17-16(12-15)10-11-26-19(17)20-18(14-6-4-3-5-7-14)21(28-27-20)22(23,24)25;2*1-10(2)13(11(3)4)12-8-6-5-7-9-12;/h2*3-13H,1-2H3;2*5-11H,1-4H3;/q2*-1;;;+2/p+2.

What are the key properties of osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline)?

osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline) has a molecular weight of 1341.55 g/mol, XLogP of 18.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for osmium(2+);bis(phenyl-di(propan-2-yl)phosphanium);bis(1-[4-phenyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-propan-2-ylisoquinoline) is sourced from PubChem (CID 155769383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).