bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate

C58H48F12N8O4OsP2 — CID 139143424

About bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate

bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate (PubChem CID 139143424) has the molecular formula C58H48F12N8O4OsP2 and a molecular weight of 1401.23 g/mol. Its IUPAC name is bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate
• PubChem CID: 139143424
• Molecular Formula: C58H48F12N8O4OsP2
• Molecular Weight: 1401.23 g/mol
• Exact Mass: 1402.27
• IUPAC Name: bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Os+2]
• InChI: InChI=1S/2C29H24N4O2.2F6P.Os/c2*1-34-24-13-9-21(10-14-24)33(22-11-15-25(35-2)16-12-22)23-19-28(26-7-3-5-17-30-26)32-29(20-23)27-8-4-6-18-31-27;2*1-7(2,3,4,5)6;/h2*3-20H,1-2H3;;;/q;;2*-1;+2
• InChIKey: DBCMZBWXZOYLQL-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 120.74 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.23
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate?

The IUPAC name of bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate (CID 139143424) is bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate.

What is the SMILES notation for bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate?

The canonical SMILES for bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate is COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Os+2].

What is the InChIKey of bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate?

The InChIKey is DBCMZBWXZOYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H24N4O2.2F6P.Os/c2*1-34-24-13-9-21(10-14-24)33(22-11-15-25(35-2)16-12-22)23-19-28(26-7-3-5-17-30-26)32-29(20-23)27-8-4-6-18-31-27;2*1-7(2,3,4,5)6;/h2*3-20H,1-2H3;;;/q;;2*-1;+2.

What are the key properties of bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate?

bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate has a molecular weight of 1401.23 g/mol, XLogP of 20.15, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate is sourced from PubChem (CID 139143424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).