tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate

C62H50F24N16P4Ru2 — CID 139085233

About tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate

tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate (PubChem CID 139085233) has the molecular formula C62H50F24N16P4Ru2 and a molecular weight of 1801.18 g/mol. Its IUPAC name is tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate.

Molecular Properties

• Compound Name: tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate
• PubChem CID: 139085233
• Molecular Formula: C62H50F24N16P4Ru2
• Molecular Weight: 1801.18 g/mol
• Exact Mass: 1802.11
• IUPAC Name: tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate
• SMILES: CC#N.CC#N.CC#N.CC#N.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(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2-c2ccccn2)nc1
• InChI: InChI=1S/C24H16N6.2C15H11N3.4C2H3N.4F6P.2Ru/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;4*1-2-3;4*1-7(2,3,4,5)6;;/h1-16H;2*1-11H;4*1H3;;;;;;/q;;;;;;;4*-1;2*+2
• InChIKey: WIIQQNGYZSMZLX-UHFFFAOYSA-N
• XLogP: 26.78
• TPSA: 249.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.18
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The IUPAC name of tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate (CID 139085233) is tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate.

What is the SMILES notation for tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The canonical SMILES for tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.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(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2-c2ccccn2)nc1.

What is the InChIKey of tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The InChIKey is WIIQQNGYZSMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6.2C15H11N3.4C2H3N.4F6P.2Ru/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;4*1-2-3;4*1-7(2,3,4,5)6;;/h1-16H;2*1-11H;4*1H3;;;;;;/q;;;;;;;4*-1;2*+2.

What are the key properties of tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate has a molecular weight of 1801.18 g/mol, XLogP of 26.78, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate is sourced from PubChem (CID 139085233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).