tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate

C39H42F12N6O7P2Ru — CID 139158992

About tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate

tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate (PubChem CID 139158992) has the molecular formula C39H42F12N6O7P2Ru and a molecular weight of 1097.79 g/mol. Its IUPAC name is tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139158992
• Molecular Formula: C39H42F12N6O7P2Ru
• Molecular Weight: 1097.79 g/mol
• Exact Mass: 1098.14
• IUPAC Name: tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
• SMILES: CC(C)=O.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• InChI: InChI=1S/3C12H12N2O2.C3H6O.2F6P.Ru/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3(2)4;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;1-2H3;;;/q;;;;2*-1;+2
• InChIKey: QFANNWVSPBYFTQ-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 149.79 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.79
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate?

The IUPAC name of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate (CID 139158992) is tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate is CC(C)=O.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].

What is the InChIKey of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate?

The InChIKey is QFANNWVSPBYFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.C3H6O.2F6P.Ru/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3(2)4;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;1-2H3;;;/q;;;;2*-1;+2.

What are the key properties of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate?

tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1097.79 g/mol, XLogP of 13.84, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139158992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).