oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate

C34H32F12N6O5P2Ru2 — CID 139085262

IUPACoxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C10H8N2.2C5H5N.2C2H4O2.2F6P.O.2Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*1-2(3)4;2*1-7(2,3,4,5)6;;;/h2*1-8H;2*1-5H;2*1H3,(H,3,4);;;;;/q;;;;;;2*-1;-2;2*+3/p-2
InChIKeyWBAKBGJVEYQJAD-UHFFFAOYSA-L
MW1096.73 g/mol
LogP10.60
Rot. Bonds2

About oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate

oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate (PubChem CID 139085262) has the molecular formula C34H32F12N6O5P2Ru2 and a molecular weight of 1096.73 g/mol. Its IUPAC name is oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate.

Molecular Properties

Compound Nameoxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate
PubChem CID139085262
Molecular FormulaC34H32F12N6O5P2Ru2
Molecular Weight1096.73 g/mol
Exact Mass1097.98
IUPAC Nameoxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C10H8N2.2C5H5N.2C2H4O2.2F6P.O.2Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*1-2(3)4;2*1-7(2,3,4,5)6;;;/h2*1-8H;2*1-5H;2*1H3,(H,3,4);;;;;/q;;;;;;2*-1;-2;2*+3/p-2
InChIKeyWBAKBGJVEYQJAD-UHFFFAOYSA-L
XLogP10.60
TPSA186.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.73
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
((2,2'-bipyridine)silver(i)(Trifluoroacetate))
CID 139160984
hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lanthanum(3+));bis(2-pyridin-2-ylpyridine)
CID 139173571
mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate
CID 139197159
2,6-Dipyridin-2-ylpyridine;propan-2-one;pyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 168348690

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate?
The IUPAC name of oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate (CID 139085262) is oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate.
What is the SMILES notation for oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate?
The canonical SMILES for oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate is CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[O-2].[Ru+3].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccncc1.c1ccncc1.
What is the InChIKey of oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate?
The InChIKey is WBAKBGJVEYQJAD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C5H5N.2C2H4O2.2F6P.O.2Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-4-6-5-3-1;2*1-2(3)4;2*1-7(2,3,4,5)6;;;/h2*1-8H;2*1-5H;2*1H3,(H,3,4);;;;;/q;;;;;;2*-1;-2;2*+3/p-2.
What are the key properties of oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate?
oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate has a molecular weight of 1096.73 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);bis(pyridine);bis(2-pyridin-2-ylpyridine);bis(ruthenium(3+));diacetate;dihexafluorophosphate is sourced from PubChem (CID 139085262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).