2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate

C39H28F12N9P2Ru — CID 6481878

About 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate (PubChem CID 6481878) has the molecular formula C39H28F12N9P2Ru and a molecular weight of 1013.71 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate
• PubChem CID: 6481878
• Molecular Formula: C39H28F12N9P2Ru
• Molecular Weight: 1013.71 g/mol
• Exact Mass: 1014.08
• IUPAC Name: 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C19H12N5.2C10H8N2.2F6P.Ru/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;;;/q-1;;;2*-1;+3
• InChIKey: XIDZGVHBPLGDBJ-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 120.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.71
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate?

The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate (CID 6481878) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate.

What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate?

The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate?

The InChIKey is XIDZGVHBPLGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N5.2C10H8N2.2F6P.Ru/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;;;/q-1;;;2*-1;+3.

What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate?

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate has a molecular weight of 1013.71 g/mol, XLogP of 14.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+);dihexafluorophosphate is sourced from PubChem (CID 6481878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).