oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate

C27H33F6N3O13PRu3 — CID 139037584

IUPACoxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].[Ru+3].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.6C2H4O2.F6P.O.3Ru/c3*1-2-4-6-5-3-1;6*1-2(3)4;1-7(2,3,4,5)6;;;;/h3*1-5H;6*1H3,(H,3,4);;;;;/q;;;;;;;;;-1;-2;3*+3/p-6
InChIKeyTWMFENCIMWYGHA-UHFFFAOYSA-H
MW1055.74 g/mol
LogP-0.96
Rot. Bonds

About oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate

oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate (PubChem CID 139037584) has the molecular formula C27H33F6N3O13PRu3 and a molecular weight of 1055.74 g/mol. Its IUPAC name is oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate.

Molecular Properties

Compound Nameoxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate
PubChem CID139037584
Molecular FormulaC27H33F6N3O13PRu3
Molecular Weight1055.74 g/mol
Exact Mass1057.88
IUPAC Nameoxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].[Ru+3].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.6C2H4O2.F6P.O.3Ru/c3*1-2-4-6-5-3-1;6*1-2(3)4;1-7(2,3,4,5)6;;;;/h3*1-5H;6*1H3,(H,3,4);;;;;/q;;;;;;;;;-1;-2;3*+3/p-6
InChIKeyTWMFENCIMWYGHA-UHFFFAOYSA-H
XLogP-0.96
TPSA307.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.74
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(mu-(acetato-kappaO:kappaO'))bis(pyridine)dicopper
CID 203800
Tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)
CID 139049863
Tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);bis(2,2,2-trifluoroacetate);diacetate
CID 139049866
Bis(1-methylpyridin-1-ium);bis(2,2,2-trifluoroacetate)
CID 140542246
Tris(1-methylpyridin-1-ium);bis(2,2,2-trifluoroacetate);chloride
CID 140986457
Bis(1-ethylpyridin-1-ium);bis(2,2,2-trifluoroacetate)
CID 141609726
copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate
CID 139055503
Hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
CID 139059315
Tris(cobalt(2+));octakis(pyridine);tetraacetate;dihexafluorophosphate
CID 139059316
Oxygen(2-);tris(pyridine);ruthenium(2+);bis(ruthenium(3+));hexaacetate
CID 139063708
mu~3~-Oxo-hexa-mu~2~-pivalato-(pivalic acid-kappaO)bis(pyridine-kappaN)trimanganese(III,III,II)
CID 139070882
Hexakis(2,2-dimethylpropanoate);iron(2+);bis(iron(3+));oxygen(2-);tris(pyridine)
CID 139120457

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate?
The IUPAC name of oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate (CID 139037584) is oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate.
What is the SMILES notation for oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate?
The canonical SMILES for oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].[Ru+3].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate?
The InChIKey is TWMFENCIMWYGHA-UHFFFAOYSA-H. The full InChI is InChI=1S/3C5H5N.6C2H4O2.F6P.O.3Ru/c3*1-2-4-6-5-3-1;6*1-2(3)4;1-7(2,3,4,5)6;;;;/h3*1-5H;6*1H3,(H,3,4);;;;;/q;;;;;;;;;-1;-2;3*+3/p-6.
What are the key properties of oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate?
oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate has a molecular weight of 1055.74 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate is sourced from PubChem (CID 139037584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).