dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate

C36H28Cl2Cu2N8O10 — CID 139149741

IUPACdicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate
SMILES[Cu+2].[Cu+2].[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C13H11N3O.C10H8N2.2ClHO4.2Cu/c2*17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5;;/h2*1-10H,(H,16,17);1-8H;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b2*15-10+;;;;;
InChIKeyYAGIHVARSUPMAS-BSJVAYIBSA-J
MW930.66 g/mol
LogP-4.93
Rot. Bonds7

About dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate

dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate (PubChem CID 139149741) has the molecular formula C36H28Cl2Cu2N8O10 and a molecular weight of 930.66 g/mol. Its IUPAC name is dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate.

Molecular Properties

Compound Namedicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate
PubChem CID139149741
Molecular FormulaC36H28Cl2Cu2N8O10
Molecular Weight930.66 g/mol
Exact Mass927.99
IUPAC Namedicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate
SMILES[Cu+2].[Cu+2].[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C13H11N3O.C10H8N2.2ClHO4.2Cu/c2*17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5;;/h2*1-10H,(H,16,17);1-8H;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b2*15-10+;;;;;
InChIKeyYAGIHVARSUPMAS-BSJVAYIBSA-J
XLogP-4.93
TPSA331.60 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.66
LogP ≤ 5-4.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

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mu-[N,N'-Bis(methyltrifluoroacetylmetylmethylidene)terephnaloyldihydrazinato(-4)] tetrkis(pyridine)dicopper(2+)
CID 139160915
[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)
CID 139058108
Bis{N'-[1-(pyrazin-2-yl-kappaN^1^)ethylidene]nicotinohydrazidato-kappa^2^N',O]manganese(II)
CID 139061947
Bis{N'-[1-(2-pyridyl)ethylidene-kappaN]benzohydrazidato-kappa^2^N',O}nickel(II)
CID 139078637
Di-mu-acetato-kappa^4^O:O-bis({N'-[(E)-phenyl(pyridin-2-ylkappaN)methylidene]benzohydrazidato-kappa^2^N',O}copper(II))
CID 139084242
copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)
CID 139085772
tetracopper;tetrakis((NE,2Z)-N-(1-pyridin-2-ylethylidene)pyridine-2-carbohydrazonate);tetranitrate;dihydrate
CID 139130329
nickel(2+);bis((NE,4Z)-N-(pyridin-2-ylmethylidene)pyridine-4-carbohydrazonate)
CID 139141092
cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
CID 139144201
dicopper;bis((NE,Z)-N-[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]benzenecarbohydrazonate);4-(2-pyridin-4-ylethyl)pyridine
CID 139149742
dicopper;bis(N-[3-[[oxido(pyridin-2-yl)methylidene]amino]phenyl]pyridine-2-carboximidate);dihydrate
CID 139150128

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate?
The IUPAC name of dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate (CID 139149741) is dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate.
What is the SMILES notation for dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate?
The canonical SMILES for dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate is [Cu+2].[Cu+2].[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1.
What is the InChIKey of dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate?
The InChIKey is YAGIHVARSUPMAS-BSJVAYIBSA-J. The full InChI is InChI=1S/2C13H11N3O.C10H8N2.2ClHO4.2Cu/c2*17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5;;/h2*1-10H,(H,16,17);1-8H;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b2*15-10+;;;;;.
What are the key properties of dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate?
dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate has a molecular weight of 930.66 g/mol, XLogP of -4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,Z)-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);4-pyridin-4-ylpyridine;diperchlorate is sourced from PubChem (CID 139149741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).