bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+)

C50H52F6N8OsP2+2 — CID 138114785

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

bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+) (PubChem CID 138114785) has the molecular formula C50H52F6N8OsP2+2 and a molecular weight of 1131.19 g/mol. Its IUPAC name is bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+).

Molecular Properties

• Compound Name: bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+)
• PubChem CID: 138114785
• Molecular Formula: C50H52F6N8OsP2+2
• Molecular Weight: 1131.19 g/mol
• Exact Mass: 1132.33
• IUPAC Name: bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+)
• SMILES: CC(C)(C)c1ccnc(-c2n[n-]c(C(F)(F)F)n2)c1.CC(C)(C)c1ccnc(-c2n[n-]c(C(F)(F)F)n2)c1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2]
• InChI: InChI=1S/2C13H13P.2C12H12F3N4.Os/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-11(2,3)7-4-5-16-8(6-7)9-17-10(19-18-9)12(13,14)15;/h2*2-11H,1H3;2*4-6H,1-3H3;/q;;2*-1;+2/p+2
• InChIKey: MOIVRPSCXKXKRW-UHFFFAOYSA-P
• XLogP: 10.58
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.19
LogP ≤ 5	10.58
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)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+)?

The IUPAC name of bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+) (CID 138114785) is bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+).

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

The canonical SMILES for bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+) is CC(C)(C)c1ccnc(-c2n[n-]c(C(F)(F)F)n2)c1.CC(C)(C)c1ccnc(-c2n[n-]c(C(F)(F)F)n2)c1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[Os+2].

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

The InChIKey is MOIVRPSCXKXKRW-UHFFFAOYSA-P. The full InChI is InChI=1S/2C13H13P.2C12H12F3N4.Os/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-11(2,3)7-4-5-16-8(6-7)9-17-10(19-18-9)12(13,14)15;/h2*2-11H,1H3;2*4-6H,1-3H3;/q;;2*-1;+2/p+2.

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

bis(4-tert-butyl-2-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+) has a molecular weight of 1131.19 g/mol, XLogP of 10.58, 6 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)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]pyridine);bis(methyl(diphenyl)phosphanium);osmium(2+) is sourced from PubChem (CID 138114785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).