dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate

C30H38Cl2Cu2N6O12 — CID 139156217

IUPACdicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate
SMILESCO.CO.NCC/N=C/c1ccccc1[O-].NCC/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C9H12N2O.2CH4O.2ClHO4.2Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*10-5-6-11-7-8-3-1-2-4-9(8)12;2*1-2;2*2-1(3,4)5;;/h1-8H;2*1-4,7,12H,5-6,10H2;2*2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b;2*11-7+;;;;;;
InChIKeyIAZOPCNJJKEVKZ-RMZVAOLWSA-J
MW872.66 g/mol
LogP-7.88
Rot. Bonds7

About dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate

dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate (PubChem CID 139156217) has the molecular formula C30H38Cl2Cu2N6O12 and a molecular weight of 872.66 g/mol. Its IUPAC name is dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate
PubChem CID139156217
Molecular FormulaC30H38Cl2Cu2N6O12
Molecular Weight872.66 g/mol
Exact Mass870.05
IUPAC Namedicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate
SMILESCO.CO.NCC/N=C/c1ccccc1[O-].NCC/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C9H12N2O.2CH4O.2ClHO4.2Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*10-5-6-11-7-8-3-1-2-4-9(8)12;2*1-2;2*2-1(3,4)5;;/h1-8H;2*1-4,7,12H,5-6,10H2;2*2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b;2*11-7+;;;;;;
InChIKeyIAZOPCNJJKEVKZ-RMZVAOLWSA-J
XLogP-7.88
TPSA373.60 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.66
LogP ≤ 5-7.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;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

Dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
CID 139044181
2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane-kappa^3^N,O,O']nickel(II) pyridine solvate
CID 139070495
Bis(4-chloropyridine){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate
CID 139080116
[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2-ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl-6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate
CID 139083818
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(nitro-kappaN)(pyridine-kappaN)cobalt(III)
CID 139088711
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(4-methylpyridine-kappaN)(nitro-kappaN)cobalt(III)
CID 139088712
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
Cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391
((mu-bipyridine)bis-((E)-2-((2-aminopropylimino)methyl)phenolato-methanol-copper(ii)))diperchlorate
CID 139156219

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate?
The IUPAC name of dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate (CID 139156217) is dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate.
What is the SMILES notation for dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate?
The canonical SMILES for dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate is CO.CO.NCC/N=C/c1ccccc1[O-].NCC/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1.
What is the InChIKey of dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate?
The InChIKey is IAZOPCNJJKEVKZ-RMZVAOLWSA-J. The full InChI is InChI=1S/C10H8N2.2C9H12N2O.2CH4O.2ClHO4.2Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*10-5-6-11-7-8-3-1-2-4-9(8)12;2*1-2;2*2-1(3,4)5;;/h1-8H;2*1-4,7,12H,5-6,10H2;2*2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b;2*11-7+;;;;;;.
What are the key properties of dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate?
dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate has a molecular weight of 872.66 g/mol, XLogP of -7.88, 7 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-(2-aminoethyliminomethyl)phenolate);methanol;4-pyridin-4-ylpyridine;diperchlorate is sourced from PubChem (CID 139156217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).