diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide

C15H17Fe3N20Na4 — CID 173117699

IUPACdiazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide
SMILESN.N.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.[Fe+3].[Fe+3].[Fe+3].[NH4+].[NH4+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/15CN.3Fe.5H3N.4Na/c15*1-2;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;5*1H3;;;;/q15*-1;3*+3;;;;;;4*+1/p+2
InChIKeyLTKMONWNXFQWFO-UHFFFAOYSA-P
MW736.94 g/mol
LogP-9.31
Rot. Bonds

About diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide

diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide (PubChem CID 173117699) has the molecular formula C15H17Fe3N20Na4 and a molecular weight of 736.94 g/mol. Its IUPAC name is diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide.

Molecular Properties

Compound Namediazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide
PubChem CID173117699
Molecular FormulaC15H17Fe3N20Na4
Molecular Weight736.94 g/mol
Exact Mass736.96
IUPAC Namediazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide
SMILESN.N.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.[Fe+3].[Fe+3].[Fe+3].[NH4+].[NH4+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/15CN.3Fe.5H3N.4Na/c15*1-2;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;5*1H3;;;;/q15*-1;3*+3;;;;;;4*+1/p+2
InChIKeyLTKMONWNXFQWFO-UHFFFAOYSA-P
XLogP-9.31
TPSA534.85 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.94
LogP ≤ 5-9.31
H-Bond Donors ≤ 55
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

tetrasodium;iron(3+);hexacyanide;hydroxide
CID 173042074
sodium cyanide
CID 8929
trisodium;azane;iron(2+);pentacyanide;trihydrate
CID 25016380
azane;nickel(2+);dicyanide
CID 160876197
sodium;hydride;cyanide
CID 24940185
silver;sodium;cyanide
CID 23700743
azane;copper(1+);cyanide
CID 23509629
sodium;rhodium(2+);cyanide
CID 23681508
trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
tricopper;tetrakis(iron(3+));octadecacyanide
CID 173169344
sodium;cyanide;hydrobromide
CID 139950314

Frequently Asked Questions

What is the IUPAC name of diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide?
The IUPAC name of diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide (CID 173117699) is diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide.
What is the SMILES notation for diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide?
The canonical SMILES for diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide is N.N.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.[Fe+3].[Fe+3].[Fe+3].[NH4+].[NH4+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide?
The InChIKey is LTKMONWNXFQWFO-UHFFFAOYSA-P. The full InChI is InChI=1S/15CN.3Fe.5H3N.4Na/c15*1-2;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;5*1H3;;;;/q15*-1;3*+3;;;;;;4*+1/p+2.
What are the key properties of diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide?
diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide has a molecular weight of 736.94 g/mol, XLogP of -9.31, 0 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide is sourced from PubChem (CID 173117699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).