bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate

C36H24F12N12P2Ru — CID 139067792

About bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate

bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139067792) has the molecular formula C36H24F12N12P2Ru and a molecular weight of 1015.67 g/mol. Its IUPAC name is bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139067792
• Molecular Formula: C36H24F12N12P2Ru
• Molecular Weight: 1015.67 g/mol
• Exact Mass: 1016.06
• IUPAC Name: bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2nc(-c3ccncc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C18H12N6.2F6P.Ru/c2*1-3-9-20-14(5-1)17-22-16(13-7-11-19-12-8-13)23-18(24-17)15-6-2-4-10-21-15;2*1-7(2,3,4,5)6;/h2*1-12H;;;/q;;2*-1;+2
• InChIKey: WOFUQABUXBGASM-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.67
LogP ≤ 5	12.88
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(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate (CID 139067792) is bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2nc(-c3ccncc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is WOFUQABUXBGASM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12N6.2F6P.Ru/c2*1-3-9-20-14(5-1)17-22-16(13-7-11-19-12-8-13)23-18(24-17)15-6-2-4-10-21-15;2*1-7(2,3,4,5)6;/h2*1-12H;;;/q;;2*-1;+2.

What are the key properties of bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate?

bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1015.67 g/mol, XLogP of 12.88, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dipyridin-2-yl-6-pyridin-4-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139067792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).