tricopper(2+) ion bis(hexacyanoirontriuide)

• ChemBase ID: 109866
• Molecular Formular: C12Cu3Fe2N12
• Molecular Mass: 614.5368
• Monoisotopic Mass: 612.69555556
• SMILES: [Cu+2].[Cu+2].[Cu+2].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/12CN.3Cu.2Fe/c12*1-2;;;;;/q;;;;;;;;;;;;3*+2;2*-3
• InChIKey: METOUIDJPDDEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricopper(2+) ion bis(hexacyanoirontriuide)
• IUPAC Traditional name: tricopper(2+) bis(hexacyanoferrate III)
• Synonyms: CUPRIC FERRICYANIDE

Database IDs

• CAS Number: 14840-55-2
• PubChem SID: 162095290
• PubChem CID: 25113328

CALCULATED PROPERTIES

• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3

DETAILS

MP Biomedicals - 05212834

MP Biomedicals Rare Chemical collection