bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate

C61H63F18N12O4P3Ru2 — CID 139136941

About bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate

bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate (PubChem CID 139136941) has the molecular formula C61H63F18N12O4P3Ru2 and a molecular weight of 1665.28 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate.

Molecular Properties

• Compound Name: bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
• PubChem CID: 139136941
• Molecular Formula: C61H63F18N12O4P3Ru2
• Molecular Weight: 1665.28 g/mol
• Exact Mass: 1666.21
• IUPAC Name: bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
• SMILES: CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.N#CCCCCC#N.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C15H11N3.C13H9N4.C6H8N2.4C3H6O.3F6P.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;7-5-3-1-2-4-6-8;4*1-3(2)4;3*1-7(2,3,4,5)6;;/h2*1-11H;1-9H;1-4H2;4*1-2H3;;;;;/q;;-1;;;;;;3*-1;2*+2
• InChIKey: IQTKNFQDVFAEHK-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 245.97 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.28
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate?

The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate (CID 139136941) is bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate.

What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate?

The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.N#CCCCCC#N.[Ru+2].[Ru+2].c1ccc(-c2cc(-c3ccccn3)[n-]n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate?

The InChIKey is IQTKNFQDVFAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C13H9N4.C6H8N2.4C3H6O.3F6P.2Ru/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11;7-5-3-1-2-4-6-8;4*1-3(2)4;3*1-7(2,3,4,5)6;;/h2*1-11H;1-9H;1-4H2;4*1-2H3;;;;;/q;;-1;;;;;;3*-1;2*+2.

What are the key properties of bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate?

bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate has a molecular weight of 1665.28 g/mol, XLogP of 22.69, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate is sourced from PubChem (CID 139136941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).