acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate

C34H29ClN8O5Ru — CID 139069200

IUPACacetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate
SMILESCC#N.O.[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C12H8N3.2C10H8N2.C2H3N.ClHO4.H2O.Ru/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2-1(3,4)5;;/h1-8H;2*1-8H;1H3;(H,2,3,4,5);1H2;/q-1;;;;;;+2/p-1
InChIKeyLOMQWLLLUHIZSO-UHFFFAOYSA-M
MW766.18 g/mol
LogP1.49
Rot. Bonds3

About acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate

acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate (PubChem CID 139069200) has the molecular formula C34H29ClN8O5Ru and a molecular weight of 766.18 g/mol. Its IUPAC name is acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate.

Molecular Properties

Compound Nameacetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate
PubChem CID139069200
Molecular FormulaC34H29ClN8O5Ru
Molecular Weight766.18 g/mol
Exact Mass766.10
IUPAC Nameacetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate
SMILESCC#N.O.[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C12H8N3.2C10H8N2.C2H3N.ClHO4.H2O.Ru/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2-1(3,4)5;;/h1-8H;2*1-8H;1H3;(H,2,3,4,5);1H2;/q-1;;;;;;+2/p-1
InChIKeyLOMQWLLLUHIZSO-UHFFFAOYSA-M
XLogP1.49
TPSA238.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
9,18-Dipyrrolidin-1-yl-10,17-diaza-8,19-diazoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(24),2,4,6,8,11,13,15,18,20,22-undecaene
CID 393981
9,18-Dipyrrolidin-1-yl-10,17-diaza-8,19-diazoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(24),2,4,6,8,11,13,15,18,20,22-undecaene perchlorate
CID 393980
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 444551
2-Imidazol-3-id-2-yl-6-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 66575096
bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)
CID 137349193
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+)
CID 46936282
[ppy2IrNEt]+Br-
CID 73330349
[ppy2IrNH]+Br-
CID 73330352
[ppy2IrNEt]+PF6-
CID 73330353
[ppy2IrNH]+I-
CID 73330357
[ppy2IrNH]+Cl-
CID 73330358

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate?
The IUPAC name of acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate (CID 139069200) is acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate.
What is the SMILES notation for acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate?
The canonical SMILES for acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate is CC#N.O.[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate?
The InChIKey is LOMQWLLLUHIZSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8N3.2C10H8N2.C2H3N.ClHO4.H2O.Ru/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2-1(3,4)5;;/h1-8H;2*1-8H;1H3;(H,2,3,4,5);1H2;/q-1;;;;;;+2/p-1.
What are the key properties of acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate?
acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate has a molecular weight of 766.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-pyridin-2-ylbenzimidazol-1-ide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);perchlorate;hydrate is sourced from PubChem (CID 139069200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).