1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)

C12H6N2O6RuS2 — CID 141259739

IUPAC1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)
SMILESO=S(=O)([O-])c1cc2ccc3cccnc3c2nc1S(=O)(=O)[O-].[Ru+2]
InChIInChI=1S/C12H8N2O6S2.Ru/c15-21(16,17)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-12(9)22(18,19)20;/h1-6H,(H,15,16,17)(H,18,19,20);/q;+2/p-2
InChIKeyZOAHIIBXLKQQHS-UHFFFAOYSA-L
MW439.39 g/mol
LogP0.59
Rot. Bonds2

About 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)

1,10-phenanthroline-2,3-disulfonate;ruthenium(2+) (PubChem CID 141259739) has the molecular formula C12H6N2O6RuS2 and a molecular weight of 439.39 g/mol. Its IUPAC name is 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+).

Molecular Properties

Compound Name1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)
PubChem CID141259739
Molecular FormulaC12H6N2O6RuS2
Molecular Weight439.39 g/mol
Exact Mass439.87
IUPAC Name1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)
SMILESO=S(=O)([O-])c1cc2ccc3cccnc3c2nc1S(=O)(=O)[O-].[Ru+2]
InChIInChI=1S/C12H8N2O6S2.Ru/c15-21(16,17)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-12(9)22(18,19)20;/h1-6H,(H,15,16,17)(H,18,19,20);/q;+2/p-2
InChIKeyZOAHIIBXLKQQHS-UHFFFAOYSA-L
XLogP0.59
TPSA140.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
CID 11595345
zinc;naphthalene-1,5-disulfonate;quinolin-8-amine
CID 175009147
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
CID 139070934
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)?
The IUPAC name of 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+) (CID 141259739) is 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+).
What is the SMILES notation for 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)?
The canonical SMILES for 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+) is O=S(=O)([O-])c1cc2ccc3cccnc3c2nc1S(=O)(=O)[O-].[Ru+2].
What is the InChIKey of 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)?
The InChIKey is ZOAHIIBXLKQQHS-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O6S2.Ru/c15-21(16,17)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-12(9)22(18,19)20;/h1-6H,(H,15,16,17)(H,18,19,20);/q;+2/p-2.
What are the key properties of 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+)?
1,10-phenanthroline-2,3-disulfonate;ruthenium(2+) has a molecular weight of 439.39 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2,3-disulfonate;ruthenium(2+) is sourced from PubChem (CID 141259739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).