benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))

C42H48N6O8Ru2 — CID 139141466

IUPACbenzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccccc1
InChIInChI=1S/2C8H7N3.C6H6.4C5H8O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;1-2-4-6-5-3-1;4*1-4(6)3-5(2)7;;/h2*1-6H,(H,10,11);1-6H;4*3,6H,1-2H3;;/q;;;;;;;2*+2/p-4/b;;;4*4-3-;;
InChIKeyZTGDYXAIQBEIDI-SFTLKQAESA-J
MW967.02 g/mol
LogP3.98
Rot. Bonds6

About benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))

benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) (PubChem CID 139141466) has the molecular formula C42H48N6O8Ru2 and a molecular weight of 967.02 g/mol. Its IUPAC name is benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)).

Molecular Properties

Compound Namebenzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))
PubChem CID139141466
Molecular FormulaC42H48N6O8Ru2
Molecular Weight967.02 g/mol
Exact Mass968.16
IUPAC Namebenzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccccc1
InChIInChI=1S/2C8H7N3.C6H6.4C5H8O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;1-2-4-6-5-3-1;4*1-4(6)3-5(2)7;;/h2*1-6H,(H,10,11);1-6H;4*3,6H,1-2H3;;/q;;;;;;;2*+2/p-4/b;;;4*4-3-;;
InChIKeyZTGDYXAIQBEIDI-SFTLKQAESA-J
XLogP3.98
TPSA243.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.02
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-(1H-imidazol-2-yl)pyridine);bis(ruthenium(2+))
CID 139141468
(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-kappa^2^O^5^,O^6^)bis[2-(2-pyridyl)-1H-benzimidazole-kappa^2^N^2^,N^3^)manganese(II) monohydrate
CID 139061069
tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
CID 139135209
N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate
CID 139140054
2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 139166549
N-(2,2-dimethylpropyl)-6-[[[6-(2,2-dimethylpropylamino)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine;nickel(3+);(Z)-4-oxopent-2-en-2-olate;perchlorate
CID 168337235
bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium
CID 58401394
2-(1H-imidazol-2-yl)imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 59551813
2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;(1Z,3Z)-N-methyl-5-pyridin-2-ylhexa-1,3,5-trien-1-amine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 143210258
chloroosmium;N-methylaniline;bis(2-(1-methylimidazol-2-yl)pyridine)
CID 145839699
bis(iridium);1-methyl-3-phenylimidazo[4,5-b]pyridine-1,4-diium;bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide);dichloride
CID 158730551
tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))
CID 159052882

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))?
The IUPAC name of benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) (CID 139141466) is benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)).
What is the SMILES notation for benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))?
The canonical SMILES for benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccccc1.
What is the InChIKey of benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))?
The InChIKey is ZTGDYXAIQBEIDI-SFTLKQAESA-J. The full InChI is InChI=1S/2C8H7N3.C6H6.4C5H8O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;1-2-4-6-5-3-1;4*1-4(6)3-5(2)7;;/h2*1-6H,(H,10,11);1-6H;4*3,6H,1-2H3;;/q;;;;;;;2*+2/p-4/b;;;4*4-3-;;.
What are the key properties of benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))?
benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) has a molecular weight of 967.02 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+)) is sourced from PubChem (CID 139141466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).