bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

C60H50F24N14P4Ru2 — CID 139162696

About bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139162696) has the molecular formula C60H50F24N14P4Ru2 and a molecular weight of 1749.15 g/mol. Its IUPAC name is bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

• Compound Name: bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
• PubChem CID: 139162696
• Molecular Formula: C60H50F24N14P4Ru2
• Molecular Weight: 1749.15 g/mol
• Exact Mass: 1750.10
• IUPAC Name: bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
• SMILES: Cc1nccc(-c2ccccn2)n1.Cc1nccc(-c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.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
• InChI: InChI=1S/2C10H9N3.4C10H8N2.4F6P.2Ru/c2*1-8-11-7-5-10(13-8)9-4-2-3-6-12-9;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;/h2*2-7H,1H3;4*1-8H;;;;;;/q;;;;;;4*-1;2*+2
• InChIKey: POYPGVPTNLMGBL-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.15
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?

The IUPAC name of bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139162696) is bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

What is the SMILES notation for bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?

The canonical SMILES for bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is Cc1nccc(-c2ccccn2)n1.Cc1nccc(-c2ccccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.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.

What is the InChIKey of bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?

The InChIKey is POYPGVPTNLMGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N3.4C10H8N2.4F6P.2Ru/c2*1-8-11-7-5-10(13-8)9-4-2-3-6-12-9;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;/h2*2-7H,1H3;4*1-8H;;;;;;/q;;;;;;4*-1;2*+2.

What are the key properties of bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?

bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 1749.15 g/mol, XLogP of 25.79, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139162696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).