methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate

C44H38F12N10OP2Ru2 — CID 139128249

About methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate

methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate (PubChem CID 139128249) has the molecular formula C44H38F12N10OP2Ru2 and a molecular weight of 1214.92 g/mol. Its IUPAC name is methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate.

Molecular Properties

• Compound Name: methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
• PubChem CID: 139128249
• Molecular Formula: C44H38F12N10OP2Ru2
• Molecular Weight: 1214.92 g/mol
• Exact Mass: 1216.06
• IUPAC Name: methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
• SMILES: C[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cn[n-]c1
• InChI: InChI=1S/4C10H8N2.C3H3N2.CH3O.2F6P.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-5-3-1;1-2;2*1-7(2,3,4,5)6;;/h4*1-8H;1-3H;1H3;;;;/q;;;;4*-1;2*+2
• InChIKey: CCWIYBJAAOKEHB-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 153.17 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.92
LogP ≤ 5	14.35
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 methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?

The IUPAC name of methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate (CID 139128249) is methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate.

What is the SMILES notation for methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?

The canonical SMILES for methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate is C[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cn[n-]c1.

What is the InChIKey of methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?

The InChIKey is CCWIYBJAAOKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.C3H3N2.CH3O.2F6P.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-5-3-1;1-2;2*1-7(2,3,4,5)6;;/h4*1-8H;1-3H;1H3;;;;/q;;;;4*-1;2*+2.

What are the key properties of methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate?

methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate has a molecular weight of 1214.92 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate is sourced from PubChem (CID 139128249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).