dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

C40H30Cl4Cu2N6O4 — CID 139082440

IUPACdicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H12Cl2N2O2.2C5H5N.2Cu/c2*1-9(13-8-12(17)6-7-14(13)20)18-19-15(21)10-2-4-11(16)5-3-10;2*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,19,21);2*1-5H;;/q;;;;2*+2/p-4/b2*18-9+;;;;
InChIKeyKQTIFXKMJHBOMQ-AZAIKBEKSA-J
MW927.62 g/mol
LogP7.35
Rot. Bonds6

About dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139082440) has the molecular formula C40H30Cl4Cu2N6O4 and a molecular weight of 927.62 g/mol. Its IUPAC name is dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namedicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
PubChem CID139082440
Molecular FormulaC40H30Cl4Cu2N6O4
Molecular Weight927.62 g/mol
Exact Mass923.97
IUPAC Namedicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H12Cl2N2O2.2C5H5N.2Cu/c2*1-9(13-8-12(17)6-7-14(13)20)18-19-15(21)10-2-4-11(16)5-3-10;2*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,19,21);2*1-5H;;/q;;;;2*+2/p-4/b2*18-9+;;;;
InChIKeyKQTIFXKMJHBOMQ-AZAIKBEKSA-J
XLogP7.35
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.62
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido-kappa^2^O,N^2'^}bis(pyridine-kappaN)zinc(II)
CID 139066978
{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-kappa^3^O,N^2'^,O']benzhydrazido}tris(pyridine-kappaN)nickel(II) pyridine solvate
CID 139066985
bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-kappa^2^N,O)bis(pyridine-kappaN)cobalt(II)
CID 139071627
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
[5-Chloro-2-hydroxy-N'-(2-oxidobenzylidene)benzohydrazidato]pyridinecopper(II)
CID 139076810
Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-kappaN]phenolato-kappaO}copper(II)
CID 139076930
Bis(4-chloropyridine){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate
CID 139080116
Dicopper;bis(2-(benzyliminomethyl)-4,6-dichlorophenolate);bis(pyridin-2-ylmethanolate)
CID 139173108
4-Chloro-2-[[2-[(5-chloro-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493504
Bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
CID 5036125

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139082440) is dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is C/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].C/C(=N\N=C(/[O-])c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is KQTIFXKMJHBOMQ-AZAIKBEKSA-J. The full InChI is InChI=1S/2C15H12Cl2N2O2.2C5H5N.2Cu/c2*1-9(13-8-12(17)6-7-14(13)20)18-19-15(21)10-2-4-11(16)5-3-10;2*1-2-4-6-5-3-1;;/h2*2-8,20H,1H3,(H,19,21);2*1-5H;;/q;;;;2*+2/p-4/b2*18-9+;;;;.
What are the key properties of dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 927.62 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,1Z)-4-chloro-N-[1-(5-chloro-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139082440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).