methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

C46H32F12N6O2P2Ru — CID 139044078

About methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139044078) has the molecular formula C46H32F12N6O2P2Ru and a molecular weight of 1091.80 g/mol. Its IUPAC name is methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139044078
• Molecular Formula: C46H32F12N6O2P2Ru
• Molecular Weight: 1091.80 g/mol
• Exact Mass: 1092.09
• IUPAC Name: methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
• SMILES: COC(=O)c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C25H17N3O2.C21H15N3.2F6P.Ru/c1-30-25(29)18-14-21(19-10-2-6-16-8-4-12-26-23(16)19)28-22(15-18)20-11-3-7-17-9-5-13-27-24(17)20;1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*1-7(2,3,4,5)6;/h2-15H,1H3;1-15H;;;/q;;2*-1;+2
• InChIKey: ILOQDCFZJYXIBK-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 103.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.80
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?

The IUPAC name of methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (CID 139044078) is methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is COC(=O)c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.

What is the InChIKey of methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?

The InChIKey is ILOQDCFZJYXIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2.C21H15N3.2F6P.Ru/c1-30-25(29)18-14-21(19-10-2-6-16-8-4-12-26-23(16)19)28-22(15-18)20-11-3-7-17-9-5-13-27-24(17)20;1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*1-7(2,3,4,5)6;/h2-15H,1H3;1-15H;;;/q;;2*-1;+2.

What are the key properties of methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?

methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1091.80 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139044078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).