tetrakis(chromium(3+));tris(iron(2+));octadecacyanide

C18Cr4Fe3N18 — CID 173180895

IUPACtetrakis(chromium(3+));tris(iron(2+));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.[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/18CN.4Cr.3Fe/c18*1-2;;;;;;;/q18*-1;4*+3;3*+2
InChIKeyQLOQCHVCQNEOGO-UHFFFAOYSA-N
MW843.84 g/mol
LogP1.72
Rot. Bonds

About tetrakis(chromium(3+));tris(iron(2+));octadecacyanide

tetrakis(chromium(3+));tris(iron(2+));octadecacyanide (PubChem CID 173180895) has the molecular formula C18Cr4Fe3N18 and a molecular weight of 843.84 g/mol. Its IUPAC name is tetrakis(chromium(3+));tris(iron(2+));octadecacyanide.

Molecular Properties

Compound Nametetrakis(chromium(3+));tris(iron(2+));octadecacyanide
PubChem CID173180895
Molecular FormulaC18Cr4Fe3N18
Molecular Weight843.84 g/mol
Exact Mass843.62
IUPAC Nametetrakis(chromium(3+));tris(iron(2+));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.[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/18CN.4Cr.3Fe/c18*1-2;;;;;;;/q18*-1;4*+3;3*+2
InChIKeyQLOQCHVCQNEOGO-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 ≤ 500843.84
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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Related Compounds

chromium(3+) tricyanide
CID 14818425
trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
iron(2+);manganese(2+);tetracyanide
CID 163753486
iron(2+);iron(4+);hexacyanide
CID 20846158
pentapotassium;iron(2+);heptacyanide
CID 173150440
distrontium;iron(2+);hexacyanide
CID 175579115
chromium(3+);molybdenum;nickel(2+);undecacyanide
CID 173413335
zinc;iron(2+);manganese(2+);hexacyanide
CID 155668746
sodium;cobalt(2+);iron(2+);pentacyanide
CID 169093006
trisodium;azane;iron(2+);pentacyanide;trihydrate
CID 25016380
dipotassium;tetracyanide
CID 172816022

Frequently Asked Questions

What is the IUPAC name of tetrakis(chromium(3+));tris(iron(2+));octadecacyanide?
The IUPAC name of tetrakis(chromium(3+));tris(iron(2+));octadecacyanide (CID 173180895) is tetrakis(chromium(3+));tris(iron(2+));octadecacyanide.
What is the SMILES notation for tetrakis(chromium(3+));tris(iron(2+));octadecacyanide?
The canonical SMILES for tetrakis(chromium(3+));tris(iron(2+));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.[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of tetrakis(chromium(3+));tris(iron(2+));octadecacyanide?
The InChIKey is QLOQCHVCQNEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/18CN.4Cr.3Fe/c18*1-2;;;;;;;/q18*-1;4*+3;3*+2.
What are the key properties of tetrakis(chromium(3+));tris(iron(2+));octadecacyanide?
tetrakis(chromium(3+));tris(iron(2+));octadecacyanide has a molecular weight of 843.84 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 tetrakis(chromium(3+));tris(iron(2+));octadecacyanide is sourced from PubChem (CID 173180895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).