2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))

C86H55N12O8Ru2- — CID 58239586

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (PubChem CID 58239586) has the molecular formula C86H55N12O8Ru2- and a molecular weight of 1586.60 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)).

Molecular Properties

• Compound Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
• PubChem CID: 58239586
• Molecular Formula: C86H55N12O8Ru2-
• Molecular Weight: 1586.60 g/mol
• Exact Mass: 1587.24
• IUPAC Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
• SMILES: O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+].[Ru+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
• InChI: InChI=1S/2C24H16N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*1-16H;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/p-1
• InChIKey: VAYHLERTQURJCR-UHFFFAOYSA-M
• XLogP: 16.01
• TPSA: 287.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.60
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?

The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (CID 58239586) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)).

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?

The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) is O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+].[Ru+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.

What is the InChIKey of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?

The InChIKey is VAYHLERTQURJCR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H16N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*1-16H;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/p-1.

What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) has a molecular weight of 1586.60 g/mol, XLogP of 16.01, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) is sourced from PubChem (CID 58239586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).