sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)

C36H24N6NaO12Ru2 — CID 139056696

IUPACsodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Ru+2].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3C2H2O4.Na.2Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*3-1(4)2(5)6;;;/h3*1-8H;3*(H,3,4)(H,5,6);;;/q;;;;;;+1;+2;+3/p-6
InChIKeyLCOYOEGJMSFWRO-UHFFFAOYSA-H
MW957.75 g/mol
LogP-7.11
Rot. Bonds3

About sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)

sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+) (PubChem CID 139056696) has the molecular formula C36H24N6NaO12Ru2 and a molecular weight of 957.75 g/mol. Its IUPAC name is sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+).

Molecular Properties

Compound Namesodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)
PubChem CID139056696
Molecular FormulaC36H24N6NaO12Ru2
Molecular Weight957.75 g/mol
Exact Mass958.94
IUPAC Namesodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Ru+2].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3C2H2O4.Na.2Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*3-1(4)2(5)6;;;/h3*1-8H;3*(H,3,4)(H,5,6);;;/q;;;;;;+1;+2;+3/p-6
InChIKeyLCOYOEGJMSFWRO-UHFFFAOYSA-H
XLogP-7.11
TPSA318.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.75
LogP ≤ 5-7.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
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
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531

Frequently Asked Questions

What is the IUPAC name of sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)?
The IUPAC name of sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+) (CID 139056696) is sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+).
What is the SMILES notation for sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)?
The canonical SMILES for sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+) is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Ru+2].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)?
The InChIKey is LCOYOEGJMSFWRO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C10H8N2.3C2H2O4.Na.2Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*3-1(4)2(5)6;;;/h3*1-8H;3*(H,3,4)(H,5,6);;;/q;;;;;;+1;+2;+3/p-6.
What are the key properties of sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+)?
sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+) has a molecular weight of 957.75 g/mol, XLogP of -7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxalate;tris(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+) is sourced from PubChem (CID 139056696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).