bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide

C21H24FeN6OSn2 — CID 173448772

IUPACbis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide
SMILESC[SnH](C)c1ccccc1.C[SnH](C)c1ccccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[N-]=O
InChIInChI=1S/2C6H5.5CN.4CH3.Fe.NO.2Sn.2H/c2*1-2-4-6-5-3-1;5*1-2;;;;;;1-2;;;;/h2*1-5H;;;;;;4*1H3;;;;;;/q;;5*-1;;;;;+6;-1;;;;
InChIKeyBNNRILIBTZFCFG-UHFFFAOYSA-N
MW669.73 g/mol
LogP3.56
Rot. Bonds2

About bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide

bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide (PubChem CID 173448772) has the molecular formula C21H24FeN6OSn2 and a molecular weight of 669.73 g/mol. Its IUPAC name is bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide.

Molecular Properties

Compound Namebis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide
PubChem CID173448772
Molecular FormulaC21H24FeN6OSn2
Molecular Weight669.73 g/mol
Exact Mass671.94
IUPAC Namebis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide
SMILESC[SnH](C)c1ccccc1.C[SnH](C)c1ccccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[N-]=O
InChIInChI=1S/2C6H5.5CN.4CH3.Fe.NO.2Sn.2H/c2*1-2-4-6-5-3-1;5*1-2;;;;;;1-2;;;;/h2*1-5H;;;;;;4*1H3;;;;;;/q;;5*-1;;;;;+6;-1;;;;
InChIKeyBNNRILIBTZFCFG-UHFFFAOYSA-N
XLogP3.56
TPSA158.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1,1'-biphenyl cyanide
CID 160660269
triphenylstannane;hydrofluoride
CID 91997541
hydron;triphenylstannane
CID 174928109
lithium;hydride;triphenylstannane
CID 173337418
gold;toluene
CID 159315944
Rhenium,pentacarbonyl(triphenylstannyl)-
CID 6327306
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349
CID 23234555
CID 23234555
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317
benzylidynetungsten(1+);carbon monoxide;ethanone;bromide
CID 135046951
cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
CID 11985301
iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
CID 50909156

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide?
The IUPAC name of bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide (CID 173448772) is bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide.
What is the SMILES notation for bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide?
The canonical SMILES for bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide is C[SnH](C)c1ccccc1.C[SnH](C)c1ccccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[N-]=O.
What is the InChIKey of bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide?
The InChIKey is BNNRILIBTZFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.5CN.4CH3.Fe.NO.2Sn.2H/c2*1-2-4-6-5-3-1;5*1-2;;;;;;1-2;;;;/h2*1-5H;;;;;;4*1H3;;;;;;/q;;5*-1;;;;;+6;-1;;;;.
What are the key properties of bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide?
bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide has a molecular weight of 669.73 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl(phenyl)stannane);iron(6+);nitroxyl anion;pentacyanide is sourced from PubChem (CID 173448772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).