tricopper;tetrakis(iron(3+));octadecacyanide

C18Cu3Fe4N18 — CID 173169344

IUPACtricopper;tetrakis(iron(3+));octadecacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Cu+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
InChIInChI=1S/18CN.3Cu.4Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3
InChIKeyNPMYUUNKZCBVKU-UHFFFAOYSA-N
MW882.34 g/mol
LogP1.72
Rot. Bonds

About tricopper;tetrakis(iron(3+));octadecacyanide

tricopper;tetrakis(iron(3+));octadecacyanide (PubChem CID 173169344) has the molecular formula C18Cu3Fe4N18 and a molecular weight of 882.34 g/mol. Its IUPAC name is tricopper;tetrakis(iron(3+));octadecacyanide.

Molecular Properties

Compound Nametricopper;tetrakis(iron(3+));octadecacyanide
PubChem CID173169344
Molecular FormulaC18Cu3Fe4N18
Molecular Weight882.34 g/mol
Exact Mass880.58
IUPAC Nametricopper;tetrakis(iron(3+));octadecacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Cu+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
InChIInChI=1S/18CN.3Cu.4Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3
InChIKeyNPMYUUNKZCBVKU-UHFFFAOYSA-N
XLogP1.72
TPSA428.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricopper;tetrakis(iron(3+));octadecacyanide?
The IUPAC name of tricopper;tetrakis(iron(3+));octadecacyanide (CID 173169344) is tricopper;tetrakis(iron(3+));octadecacyanide.
What is the SMILES notation for tricopper;tetrakis(iron(3+));octadecacyanide?
The canonical SMILES for tricopper;tetrakis(iron(3+));octadecacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Cu+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3].
What is the InChIKey of tricopper;tetrakis(iron(3+));octadecacyanide?
The InChIKey is NPMYUUNKZCBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/18CN.3Cu.4Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3.
What are the key properties of tricopper;tetrakis(iron(3+));octadecacyanide?
tricopper;tetrakis(iron(3+));octadecacyanide has a molecular weight of 882.34 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tetrakis(iron(3+));octadecacyanide is sourced from PubChem (CID 173169344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).