dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate

C37H30Cl3FeN6O6 — CID 139192288

IUPACdichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate
SMILESClCCl.[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1
InChIInChI=1S/2C18H15N3O.CH2Cl2.ClHO4.Fe/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;2-1-3;2-1(3,4)5;/h2*1-14,22H;1H2;(H,2,3,4,5);/q;;;;+3/p-3/b2*20-14+;;;
InChIKeyKGLYULOMNKAJFN-YDZMCHMWSA-K
MW816.89 g/mol
LogP3.32
Rot. Bonds8

About dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate

dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate (PubChem CID 139192288) has the molecular formula C37H30Cl3FeN6O6 and a molecular weight of 816.89 g/mol. Its IUPAC name is dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate.

Molecular Properties

Compound Namedichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate
PubChem CID139192288
Molecular FormulaC37H30Cl3FeN6O6
Molecular Weight816.89 g/mol
Exact Mass815.06
IUPAC Namedichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate
SMILESClCCl.[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1
InChIInChI=1S/2C18H15N3O.CH2Cl2.ClHO4.Fe/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;2-1-3;2-1(3,4)5;/h2*1-14,22H;1H2;(H,2,3,4,5);/q;;;;+3/p-3/b2*20-14+;;;
InChIKeyKGLYULOMNKAJFN-YDZMCHMWSA-K
XLogP3.32
TPSA195.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.89
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate 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

bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139160031
manganese(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 139161130
dicopper;dioxidanium;bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate;hydrate
CID 168338098
cobalt(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 54602046
Cobalt(2+);bis([(2-oxoniophenyl)methylideneamino]-pyridin-2-ylazanide)
CID 4444653
copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)
CID 46933904
chromium;bis(2-[(E)-C-methyl-N-(N-pyridin-2-ylanilino)carbonimidoyl]phenol);perchlorate
CID 136237446
{(E)-2-[(Phenylimino)methyl]phenolato-kappa^2^N,O}bis[2-(pyridin-2-yl)phenyl-kappa^2^C^1^,N]iridium(III) dichloromethane monosolvate
CID 139088066

Frequently Asked Questions

What is the IUPAC name of dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate?
The IUPAC name of dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate (CID 139192288) is dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate.
What is the SMILES notation for dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate?
The canonical SMILES for dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate is ClCCl.[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.
What is the InChIKey of dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate?
The InChIKey is KGLYULOMNKAJFN-YDZMCHMWSA-K. The full InChI is InChI=1S/2C18H15N3O.CH2Cl2.ClHO4.Fe/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;2-1-3;2-1(3,4)5;/h2*1-14,22H;1H2;(H,2,3,4,5);/q;;;;+3/p-3/b2*20-14+;;;.
What are the key properties of dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate?
dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate has a molecular weight of 816.89 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate is sourced from PubChem (CID 139192288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).