2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))

C114H112N12O12Ru2 — CID 157185052

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) (PubChem CID 157185052) has the molecular formula C114H112N12O12Ru2 and a molecular weight of 2044.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)).

Molecular Properties

• Compound Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))
• PubChem CID: 157185052
• Molecular Formula: C114H112N12O12Ru2
• Molecular Weight: 2044.36 g/mol
• Exact Mass: 2044.66
• IUPAC Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))
• SMILES: CCCCCCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OCCCCCC)cc4)ccn3)c2)cc1.CCCCCCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OCCCCCC)cc4)ccn3)c2)cc1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
• InChI: InChI=1S/2C38H44N2O2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2;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*11-26,29-30H,3-10,27-28H2,1-2H3;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/b2*13-11+,14-12+
• InChIKey: APAFIMMSLZNRQQ-ZQGNLBNWSA-N
• XLogP: 25.92
• TPSA: 321.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 43
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.36
LogP ≤ 5	25.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) (CID 157185052) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)).

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) is CCCCCCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OCCCCCC)cc4)ccn3)c2)cc1.CCCCCCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OCCCCCC)cc4)ccn3)c2)cc1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.

What is the InChIKey of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The InChIKey is APAFIMMSLZNRQQ-ZQGNLBNWSA-N. The full InChI is InChI=1S/2C38H44N2O2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2;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*11-26,29-30H,3-10,27-28H2,1-2H3;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/b2*13-11+,14-12+;;;;;.

What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) has a molecular weight of 2044.36 g/mol, XLogP of 25.92, 43 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) is sourced from PubChem (CID 157185052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).