tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))

C64H40Cl4Fe2N8O4 — CID 139187308

IUPACtetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))
SMILES[Fe+2].[Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12
InChIInChI=1S/4C16H11ClN2O.2Fe/c4*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;;/h4*1-10,20H;;/q;;;;2*+2/p-4/b2*19-10+;;;;
InChIKeyGDPGHZKVGYGCPC-QPEBOGGNSA-J
MW1238.58 g/mol
LogP14.84
Rot. Bonds8

About tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))

tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) (PubChem CID 139187308) has the molecular formula C64H40Cl4Fe2N8O4 and a molecular weight of 1238.58 g/mol. Its IUPAC name is tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)).

Molecular Properties

Compound Nametetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))
PubChem CID139187308
Molecular FormulaC64H40Cl4Fe2N8O4
Molecular Weight1238.58 g/mol
Exact Mass1236.06
IUPAC Nametetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))
SMILES[Fe+2].[Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12
InChIInChI=1S/4C16H11ClN2O.2Fe/c4*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;;/h4*1-10,20H;;/q;;;;2*+2/p-4/b2*19-10+;;;;
InChIKeyGDPGHZKVGYGCPC-QPEBOGGNSA-J
XLogP14.84
TPSA193.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.58
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) 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

{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
Dichloromethane;iron(3+);bis(2-(quinolin-8-yliminomethyl)phenolate);isoselenocyanate
CID 139120327
Tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate
CID 139152393
Bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);methanol;isothiocyanate
CID 139165226
Bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)
CID 139187307
Bis[2-(8-quinolyliminomethyl)phenolato-kappa^3^N,N',O]iron(III) azide
CID 168309797
Dioxidanium;dizinc;bis([4-chloro-2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline);dihydrate
CID 168338277
Copper;oxidanium;4-chloro-2-(quinolin-8-yliminomethyl)phenolate;perchlorate
CID 168354268
[Fe(qsal-Cl)(qsal-Br)]BPh4
CID 139178149
[Fe(qsal-Cl)(qsal-Br)]PF6
CID 139178150

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))?
The IUPAC name of tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) (CID 139187308) is tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)).
What is the SMILES notation for tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))?
The canonical SMILES for tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) is [Fe+2].[Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12.
What is the InChIKey of tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))?
The InChIKey is GDPGHZKVGYGCPC-QPEBOGGNSA-J. The full InChI is InChI=1S/4C16H11ClN2O.2Fe/c4*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;;/h4*1-10,20H;;/q;;;;2*+2/p-4/b2*19-10+;;;;.
What are the key properties of tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))?
tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) has a molecular weight of 1238.58 g/mol, XLogP of 14.84, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+)) is sourced from PubChem (CID 139187308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).