pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate

C76H65F24N21P4Ru2 — CID 139110697

About pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate

pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate (PubChem CID 139110697) has the molecular formula C76H65F24N21P4Ru2 and a molecular weight of 2054.49 g/mol. Its IUPAC name is pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate.

Molecular Properties

• Compound Name: pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate
• PubChem CID: 139110697
• Molecular Formula: C76H65F24N21P4Ru2
• Molecular Weight: 2054.49 g/mol
• Exact Mass: 2055.24
• IUPAC Name: pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate
• SMILES: CC#N.CC#N.CC#N.CC#N.CC#N.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.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(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2-c2ccccn2)nc1
• InChI: InChI=1S/C24H16N6.2C21H17N5.5C2H3N.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*1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;5*1-2-3;4*1-7(2,3,4,5)6;;/h1-16H;2*3-13H,1-2H3;5*1H3;;;;;;/q;;;;;;;;4*-1;2*+2
• InChIKey: JPSMMFUQLSTIHE-UHFFFAOYSA-N
• XLogP: 29.28
• TPSA: 293.35 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.49
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The IUPAC name of pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate (CID 139110697) is pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate.

What is the SMILES notation for pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The canonical SMILES for pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.CC#N.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.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(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2-c2ccccn2)nc1.

What is the InChIKey of pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

The InChIKey is JPSMMFUQLSTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6.2C21H17N5.5C2H3N.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*1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;5*1-2-3;4*1-7(2,3,4,5)6;;/h1-16H;2*3-13H,1-2H3;5*1H3;;;;;;/q;;;;;;;;4*-1;2*+2.

What are the key properties of pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate?

pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate has a molecular weight of 2054.49 g/mol, XLogP of 29.28, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(acetonitrile);bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);bis(ruthenium(2+));2,3,5,6-tetrapyridin-2-ylpyrazine;tetrahexafluorophosphate is sourced from PubChem (CID 139110697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).