2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))

C106H135N12O8Ru2- — CID 58420830

IUPAC2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
SMILESCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.CCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.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
InChIInChI=1S/2C34H56N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*25-30H,3-24H2,1-2H3;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/p-1
InChIKeySVYYEHISSBVMEI-UHFFFAOYSA-M
MW1907.46 g/mol
LogP25.92
Rot. Bonds55

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (PubChem CID 58420830) has the molecular formula C106H135N12O8Ru2- and a molecular weight of 1907.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)).

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
PubChem CID58420830
Molecular FormulaC106H135N12O8Ru2-
Molecular Weight1907.46 g/mol
Exact Mass1907.86
IUPAC Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
SMILESCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.CCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.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
InChIInChI=1S/2C34H56N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*25-30H,3-24H2,1-2H3;1-8H;2*1-7H,(H,16,17);;/q;;-2;;;2*+1/p-1
InChIKeySVYYEHISSBVMEI-UHFFFAOYSA-M
XLogP25.92
TPSA287.13 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds55
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.46
LogP ≤ 525.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (CID 58420830) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) is CCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.CCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCC)ccn2)c1.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(4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?
The InChIKey is SVYYEHISSBVMEI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C34H56N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-35-33(29-31)34-30-32(26-28-36-34)24-22-20-18-16-14-12-10-8-6-4-2;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h2*25-30H,3-24H2,1-2H3;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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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 1907.46 g/mol, XLogP of 25.92, 55 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-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine);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 58420830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).