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+))

C36H18F24N6O8Ru2 — CID 139141468

IUPACtetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-(1H-imidazol-2-yl)pyridine);bis(ruthenium(2+))
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/2C8H7N3.4C5H2F6O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-6H,(H,10,11);4*1,12H;;/q;;;;;;2*+2/p-4/b;;4*2-1-;;
InChIKeyBAXYFVATEATAJD-LFJFLIJASA-J
MW1320.67 g/mol
LogP6.64
Rot. Bonds6

About 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+))

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+)) (PubChem CID 139141468) has the molecular formula C36H18F24N6O8Ru2 and a molecular weight of 1320.67 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Nametetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-(1H-imidazol-2-yl)pyridine);bis(ruthenium(2+))
PubChem CID139141468
Molecular FormulaC36H18F24N6O8Ru2
Molecular Weight1320.67 g/mol
Exact Mass1321.89
IUPAC Nametetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-(1H-imidazol-2-yl)pyridine);bis(ruthenium(2+))
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/2C8H7N3.4C5H2F6O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-6H,(H,10,11);4*1,12H;;/q;;;;;;2*+2/p-4/b;;4*2-1-;;
InChIKeyBAXYFVATEATAJD-LFJFLIJASA-J
XLogP6.64
TPSA243.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.67
LogP ≤ 56.64
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'}

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Related Compounds

tetrakis(2,6-bis(1H-imidazol-2-yl)pyridine);bis(manganese(2+));tetrakis(trifluoromethanesulfonate)
CID 139155467
tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
CID 139135209
benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))
CID 139141466
2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 139166549
data_Rubim_OH2_2
CID 168342947
dicopper;dioxidanium;bis(1,1-bis(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)methanamine);bis(hexafluorosilicon(2-));decahydrate
CID 168354039
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;2-(4,5-dihydro-1H-imidazol-2-yl)pyridine;6-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)pyridine;6-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione;2-(1,2,3,6-tetrahydropyrazin-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 161459773
manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
CID 139176806

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of 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+))?
The InChIKey is BAXYFVATEATAJD-LFJFLIJASA-J. The full InChI is InChI=1S/2C8H7N3.4C5H2F6O2.2Ru/c2*1-2-4-9-7(3-1)8-10-5-6-11-8;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-6H,(H,10,11);4*1,12H;;/q;;;;;;2*+2/p-4/b;;4*2-1-;;.
What are the key properties of 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+))?
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+)) has a molecular weight of 1320.67 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 139141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).