2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate

C43H28F12N9P2Ru — CID 6481879

About 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate (PubChem CID 6481879) has the molecular formula C43H28F12N9P2Ru and a molecular weight of 1061.75 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate
• PubChem CID: 6481879
• Molecular Formula: C43H28F12N9P2Ru
• Molecular Weight: 1061.75 g/mol
• Exact Mass: 1062.08
• IUPAC Name: 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);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.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C19H12N5.2C12H8N2.2F6P.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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;;;/q-1;;;2*-1;+3
• InChIKey: KUYQJUVVRUAGAT-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 120.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.75
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate?

The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate (CID 6481879) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate.

What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate?

The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);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.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate?

The InChIKey is KUYQJUVVRUAGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N5.2C12H8N2.2F6P.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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;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(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate?

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate has a molecular weight of 1061.75 g/mol, XLogP of 16.13, 2 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(1,10-phenanthroline);ruthenium(3+);dihexafluorophosphate is sourced from PubChem (CID 6481879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).