bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)

C40H46F6N8OsP2 — CID 139255009

About bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)

bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+) (PubChem CID 139255009) has the molecular formula C40H46F6N8OsP2 and a molecular weight of 1005.03 g/mol. Its IUPAC name is bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+).

Molecular Properties

• Compound Name: bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)
• PubChem CID: 139255009
• Molecular Formula: C40H46F6N8OsP2
• Molecular Weight: 1005.03 g/mol
• Exact Mass: 1006.28
• IUPAC Name: bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)
• SMILES: CC(C)(C)c1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.CP(C)c1ccccc1.CP(C)c1ccccc1.[Os+2]
• InChI: InChI=1S/2C12H12F3N4.2C8H11P.Os/c2*1-11(2,3)7-4-5-16-8(6-7)9-17-10(19-18-9)12(13,14)15;2*1-9(2)8-6-4-3-5-7-8;/h2*4-6H,1-3H3;2*3-7H,1-2H3;/q2*-1;;;+2
• InChIKey: GJNTYDQUHWDKOL-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.03
LogP ≤ 5	9.73
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(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)?

The IUPAC name of bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+) (CID 139255009) is bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+).

What is the SMILES notation for bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)?

The canonical SMILES for bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+) is CC(C)(C)c1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.CC(C)(C)c1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.CP(C)c1ccccc1.CP(C)c1ccccc1.[Os+2].

What is the InChIKey of bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)?

The InChIKey is GJNTYDQUHWDKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12F3N4.2C8H11P.Os/c2*1-11(2,3)7-4-5-16-8(6-7)9-17-10(19-18-9)12(13,14)15;2*1-9(2)8-6-4-3-5-7-8;/h2*4-6H,1-3H3;2*3-7H,1-2H3;/q2*-1;;;+2.

What are the key properties of bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+)?

bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+) has a molecular weight of 1005.03 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(dimethyl(phenyl)phosphane);osmium(2+) is sourced from PubChem (CID 139255009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).