2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))

C114H104N12O8Ru2S8 — CID 157490938

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) (PubChem CID 157490938) has the molecular formula C114H104N12O8Ru2S8 and a molecular weight of 2228.84 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)).

Molecular Properties

• Compound Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))
• PubChem CID: 157490938
• Molecular Formula: C114H104N12O8Ru2S8
• Molecular Weight: 2228.84 g/mol
• Exact Mass: 2228.40
• IUPAC Name: 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))
• SMILES: CCCCCCc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(CCCCCC)s6)s5)ccn4)c3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(CCCCCC)s6)s5)ccn4)c3)s2)s1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
• InChI: InChI=1S/2C38H40N2S4.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-11-29-13-15-35(41-29)37-19-17-33(43-37)27-21-23-39-31(25-27)32-26-28(22-24-40-32)34-18-20-38(44-34)36-16-14-30(42-36)12-10-8-6-4-2;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*13-26H,3-12H2,1-2H3;2*1-8H;1-7H,(H,16,17);;/q;;-2;;;2*+1
• InChIKey: BXGNGDWWXYWUSI-UHFFFAOYSA-N
• XLogP: 31.56
• TPSA: 273.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.84
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) (CID 157490938) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)).

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) is CCCCCCc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(CCCCCC)s6)s5)ccn4)c3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(CCCCCC)s6)s5)ccn4)c3)s2)s1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(OC=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;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

The InChIKey is BXGNGDWWXYWUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H40N2S4.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-11-29-13-15-35(41-29)37-19-17-33(43-37)27-21-23-39-31(25-27)32-26-28(22-24-40-32)34-18-20-38(44-34)36-16-14-30(42-36)12-10-8-6-4-2;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*13-26H,3-12H2,1-2H3;2*1-8H;1-7H,(H,16,17);;/q;;-2;;;2*+1.

What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+))?

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) has a molecular weight of 2228.84 g/mol, XLogP of 31.56, 40 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;bis(4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine);bis(ruthenium(1+)) is sourced from PubChem (CID 157490938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).