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

C38H26F12N10P2Ru — CID 139074140

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

bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139074140) has the molecular formula C38H26F12N10P2Ru and a molecular weight of 1013.69 g/mol. Its IUPAC name is bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139074140
• Molecular Formula: C38H26F12N10P2Ru
• Molecular Weight: 1013.69 g/mol
• Exact Mass: 1014.07
• IUPAC Name: bis(2-phenyl-4,6-dipyridin-2-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(-c3ccccn3)nc(-c3ccccn3)n2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/2C19H13N5.2F6P.Ru/c2*1-2-8-14(9-3-1)17-22-18(15-10-4-6-12-20-15)24-19(23-17)16-11-5-7-13-21-16;2*1-7(2,3,4,5)6;/h2*1-13H;;;/q;;2*-1;+2
• InChIKey: NZEGWCVHBLRNDT-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.69
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate (CID 139074140) is bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate.

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

The canonical SMILES for bis(2-phenyl-4,6-dipyridin-2-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(-c3ccccn3)nc(-c3ccccn3)n2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.

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

The InChIKey is NZEGWCVHBLRNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N5.2F6P.Ru/c2*1-2-8-14(9-3-1)17-22-18(15-10-4-6-12-20-15)24-19(23-17)16-11-5-7-13-21-16;2*1-7(2,3,4,5)6;/h2*1-13H;;;/q;;2*-1;+2.

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

bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1013.69 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139074140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).