bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate

C44H30F12N10P2Ru — CID 46835866

About bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate

bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate (PubChem CID 46835866) has the molecular formula C44H30F12N10P2Ru and a molecular weight of 1089.79 g/mol. Its IUPAC name is bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 46835866
• Molecular Formula: C44H30F12N10P2Ru
• Molecular Weight: 1089.79 g/mol
• Exact Mass: 1090.10
• IUPAC Name: bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3nc4ccccc4[nH]3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C22H15N5.2F6P.Ru/c2*1-2-10-19-18(9-1)26-22(27-19)15-13-20(16-7-3-5-11-23-16)25-21(14-15)17-8-4-6-12-24-17;2*1-7(2,3,4,5)6;/h2*1-14H,(H,26,27);;;/q;;2*-1;+2
• InChIKey: IXHCADVCIMFVFF-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 134.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.79
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate (CID 46835866) is bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2cc(-c3nc4ccccc4[nH]3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate?

The InChIKey is IXHCADVCIMFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15N5.2F6P.Ru/c2*1-2-10-19-18(9-1)26-22(27-19)15-13-20(16-7-3-5-11-23-16)25-21(14-15)17-8-4-6-12-24-17;2*1-7(2,3,4,5)6;/h2*1-14H,(H,26,27);;;/q;;2*-1;+2.

What are the key properties of bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate?

bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1089.79 g/mol, XLogP of 16.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,6-dipyridin-2-yl-4-pyridinyl)-1H-benzimidazole);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 46835866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).