bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate

C112H96Cl4Fe4N24O24 — CID 139157589

IUPACbis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.[Fe+2].[Fe+2].[Fe+3].[Fe+3].[O-][Cl+3]([O-])([O-])OO[Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/8C14H13N3O.Cl2O8.2ClHO4.4Fe/c8*1-11(13-9-5-6-10-15-13)16-17-14(18)12-7-3-2-4-8-12;3-1(4,5)9-10-2(6,7)8;2*2-1(3,4)5;;;;/h8*2-10H,1H3,(H,17,18);;2*(H,2,3,4,5);;;;/q;;;;;;;;;;;2*+2;2*+3/p-10/b8*16-11+;;;;;;;
InChIKeyGVAWMPSOLPPFOI-SCZZBJNFSA-D
MW2527.34 g/mol
LogP-3.89
Rot. Bonds27

About bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate

bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate (PubChem CID 139157589) has the molecular formula C112H96Cl4Fe4N24O24 and a molecular weight of 2527.34 g/mol. Its IUPAC name is bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate.

Molecular Properties

Compound Namebis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate
PubChem CID139157589
Molecular FormulaC112H96Cl4Fe4N24O24
Molecular Weight2527.34 g/mol
Exact Mass2524.32
IUPAC Namebis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.[Fe+2].[Fe+2].[Fe+3].[Fe+3].[O-][Cl+3]([O-])([O-])OO[Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/8C14H13N3O.Cl2O8.2ClHO4.4Fe/c8*1-11(13-9-5-6-10-15-13)16-17-14(18)12-7-3-2-4-8-12;3-1(4,5)9-10-2(6,7)8;2*2-1(3,4)5;;;;/h8*2-10H,1H3,(H,17,18);;2*(H,2,3,4,5);;;;/q;;;;;;;;;;;2*+2;2*+3/p-10/b8*16-11+;;;;;;;
InChIKeyGVAWMPSOLPPFOI-SCZZBJNFSA-D
XLogP-3.89
TPSA826.66 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002527.34
LogP ≤ 5-3.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

deltaFe-Tris(6-((2-(4-(((R)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) perchlorate
CID 53481961
lambdaFe-Tris(6-((2-(4-(((S)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) chloride
CID 53481968
deltaFe-Tris(6-((2-(4-(((R)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) chloride
CID 53481972
deltaZn-Tris(6-((2-(4-(((R)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)dizinc(II) perchlorate
CID 53481974
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
CID 53491358
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetrachloride
CID 53491360
dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
CID 53491368
bis(iron(2+));tris(N-[(1S)-1-phenyl-2-[[4-[[(2S)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetrachloride
CID 53491369
[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)
CID 139058108
Bis{N'-[1-(2-pyridyl)ethylidene-kappaN]benzohydrazidato-kappa^2^N',O}nickel(II)
CID 139078637
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
Di-mu-acetato-kappa^4^O:O-bis({N'-[(E)-phenyl(pyridin-2-ylkappaN)methylidene]benzohydrazidato-kappa^2^N',O}copper(II))
CID 139084242

Frequently Asked Questions

What is the IUPAC name of bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate?
The IUPAC name of bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate (CID 139157589) is bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate.
What is the SMILES notation for bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate?
The canonical SMILES for bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate is C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccn1.[Fe+2].[Fe+2].[Fe+3].[Fe+3].[O-][Cl+3]([O-])([O-])OO[Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate?
The InChIKey is GVAWMPSOLPPFOI-SCZZBJNFSA-D. The full InChI is InChI=1S/8C14H13N3O.Cl2O8.2ClHO4.4Fe/c8*1-11(13-9-5-6-10-15-13)16-17-14(18)12-7-3-2-4-8-12;3-1(4,5)9-10-2(6,7)8;2*2-1(3,4)5;;;;/h8*2-10H,1H3,(H,17,18);;2*(H,2,3,4,5);;;;/q;;;;;;;;;;;2*+2;2*+3/p-10/b8*16-11+;;;;;;;.
What are the key properties of bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate?
bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate has a molecular weight of 2527.34 g/mol, XLogP of -3.89, 27 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iron(2+));bis(iron(3+));perchloryloxy perchlorate;octakis((NE,Z)-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);diperchlorate is sourced from PubChem (CID 139157589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).