azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide

C12H28Cu6FeN14-4 — CID 11963893

IUPACazanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide
SMILESNCCCN.NCCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Fe+6].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/2C3H10N2.6CN.6Cu.Fe.4H2N/c2*4-2-1-3-5;6*1-2;;;;;;;;;;;/h2*1-5H2;;;;;;;;;;;;;;4*1H2/q;;6*-1;;;;;;;+6;4*-1
InChIKeyQUQWAIUXMHBFEE-UHFFFAOYSA-N
MW805.57 g/mol
LogP2.02
Rot. Bonds4

About azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide

azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide (PubChem CID 11963893) has the molecular formula C12H28Cu6FeN14-4 and a molecular weight of 805.57 g/mol. Its IUPAC name is azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide.

Molecular Properties

Compound Nameazanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide
PubChem CID11963893
Molecular FormulaC12H28Cu6FeN14-4
Molecular Weight805.57 g/mol
Exact Mass801.78
IUPAC Nameazanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide
SMILESNCCCN.NCCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Fe+6].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/2C3H10N2.6CN.6Cu.Fe.4H2N/c2*4-2-1-3-5;6*1-2;;;;;;;;;;;/h2*1-5H2;;;;;;;;;;;;;;4*1H2/q;;6*-1;;;;;;;+6;4*-1
InChIKeyQUQWAIUXMHBFEE-UHFFFAOYSA-N
XLogP2.02
TPSA380.82 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500805.57
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

iron(3+);propane-1,3-diamine
CID 18953212
CID 21315680
CID 21315680
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
hydron;propane-1,3-diamine;iodide
CID 175361100
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
ethene;propane-1,3-diamine
CID 158358945
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
azane;butane-1,4-diamine
CID 87378889
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592

Frequently Asked Questions

What is the IUPAC name of azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide?
The IUPAC name of azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide (CID 11963893) is azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide.
What is the SMILES notation for azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide?
The canonical SMILES for azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide is NCCCN.NCCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Fe+6].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide?
The InChIKey is QUQWAIUXMHBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H10N2.6CN.6Cu.Fe.4H2N/c2*4-2-1-3-5;6*1-2;;;;;;;;;;;/h2*1-5H2;;;;;;;;;;;;;;4*1H2/q;;6*-1;;;;;;;+6;4*-1.
What are the key properties of azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide?
azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide has a molecular weight of 805.57 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide is sourced from PubChem (CID 11963893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).