3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C41H34F12N10OP2Ru — CID 139156893

About 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139156893) has the molecular formula C41H34F12N10OP2Ru and a molecular weight of 1073.79 g/mol. Its IUPAC name is 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139156893
• Molecular Formula: C41H34F12N10OP2Ru
• Molecular Weight: 1073.79 g/mol
• Exact Mass: 1074.12
• IUPAC Name: 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• SMILES: CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3cncnc3)c(-c3ccccn3)nn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C18H12N6.2C10H8N2.C3H6O.2F6P.Ru/c1-3-7-21-15(5-1)17-9-14(13-10-19-12-20-11-13)18(24-23-17)16-6-2-4-8-22-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3(2)4;2*1-7(2,3,4,5)6;/h1-12H;2*1-8H;1-2H3;;;/q;;;;2*-1;+2
• InChIKey: SJECFWNIFUHEJQ-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 145.97 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.79
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139156893) is 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3cncnc3)c(-c3ccccn3)nn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is SJECFWNIFUHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6.2C10H8N2.C3H6O.2F6P.Ru/c1-3-7-21-15(5-1)17-9-14(13-10-19-12-20-11-13)18(24-23-17)16-6-2-4-8-22-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3(2)4;2*1-7(2,3,4,5)6;/h1-12H;2*1-8H;1-2H3;;;/q;;;;2*-1;+2.

What are the key properties of 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1073.79 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139156893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).