tris(diphenylazanide);bis(iron(3+));tribromide

C36H30Br3Fe2N3 — CID 173104294

IUPACtris(diphenylazanide);bis(iron(3+));tribromide
SMILES[Br-].[Br-].[Br-].[Fe+3].[Fe+3].c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/3C12H10N.3BrH.2Fe/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;/h3*1-10H;3*1H;;/q3*-1;;;;2*+3/p-3
InChIKeySMTNTXOOLIWXER-UHFFFAOYSA-K
MW856.06 g/mol
LogP3.08
Rot. Bonds6

About tris(diphenylazanide);bis(iron(3+));tribromide

tris(diphenylazanide);bis(iron(3+));tribromide (PubChem CID 173104294) has the molecular formula C36H30Br3Fe2N3 and a molecular weight of 856.06 g/mol. Its IUPAC name is tris(diphenylazanide);bis(iron(3+));tribromide.

Molecular Properties

Compound Nametris(diphenylazanide);bis(iron(3+));tribromide
PubChem CID173104294
Molecular FormulaC36H30Br3Fe2N3
Molecular Weight856.06 g/mol
Exact Mass852.87
IUPAC Nametris(diphenylazanide);bis(iron(3+));tribromide
SMILES[Br-].[Br-].[Br-].[Fe+3].[Fe+3].c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/3C12H10N.3BrH.2Fe/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;/h3*1-10H;3*1H;;/q3*-1;;;;2*+3/p-3
InChIKeySMTNTXOOLIWXER-UHFFFAOYSA-K
XLogP3.08
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500856.06
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(diphenylazanide)
CID 15502538
chlorotitanium(1+);diphenylazanide
CID 59831007
hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
CID 58249962
phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
CID 161083184
dimagnesium;phenylazanidylmethanedithioate;dibromide
CID 134871517
potassium phenyl(propan-2-yl)azanide
CID 141014055
4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane
CID 174950086
tert-butyl(phenyl)azanide
CID 101391554
bis(cyclopentane);[(1S,2S)-1,2-diphenyl-2-phenylazanidylethyl]-phenylazanide;zirconium(4+)
CID 23229385
methyl(phenyl)azanide;tetrachlorotantalum
CID 135085137
tris(tert-butyl(phenyl)azanide);titanium(3+)
CID 10994603
(4-methylphenyl)-[4-(4-methylphenyl)azanidylphenyl]azanide;bis(yttrium)
CID 140602040

Frequently Asked Questions

What is the IUPAC name of tris(diphenylazanide);bis(iron(3+));tribromide?
The IUPAC name of tris(diphenylazanide);bis(iron(3+));tribromide (CID 173104294) is tris(diphenylazanide);bis(iron(3+));tribromide.
What is the SMILES notation for tris(diphenylazanide);bis(iron(3+));tribromide?
The canonical SMILES for tris(diphenylazanide);bis(iron(3+));tribromide is [Br-].[Br-].[Br-].[Fe+3].[Fe+3].c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of tris(diphenylazanide);bis(iron(3+));tribromide?
The InChIKey is SMTNTXOOLIWXER-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H10N.3BrH.2Fe/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;/h3*1-10H;3*1H;;/q3*-1;;;;2*+3/p-3.
What are the key properties of tris(diphenylazanide);bis(iron(3+));tribromide?
tris(diphenylazanide);bis(iron(3+));tribromide has a molecular weight of 856.06 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diphenylazanide);bis(iron(3+));tribromide is sourced from PubChem (CID 173104294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).