dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)

C50H36Br2Cu2N6O4 — CID 139077285

IUPACdicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILES[Cu+2].[Cu+2].[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H15BrN2O2.2C5H5N.2Cu/c2*21-16-11-12-18(24)17(13-16)19(14-7-3-1-4-8-14)22-23-20(25)15-9-5-2-6-10-15;2*1-2-4-6-5-3-1;;/h2*1-13,24H,(H,23,25);2*1-5H;;/q;;;;2*+2/p-4/b2*22-19+;;;;
InChIKeyKYAYFUWCARCIAX-CPTDTRNDSA-J
MW1071.78 g/mol
LogP8.32
Rot. Bonds8

About dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)

dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139077285) has the molecular formula C50H36Br2Cu2N6O4 and a molecular weight of 1071.78 g/mol. Its IUPAC name is dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namedicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)
PubChem CID139077285
Molecular FormulaC50H36Br2Cu2N6O4
Molecular Weight1071.78 g/mol
Exact Mass1067.98
IUPAC Namedicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILES[Cu+2].[Cu+2].[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H15BrN2O2.2C5H5N.2Cu/c2*21-16-11-12-18(24)17(13-16)19(14-7-3-1-4-8-14)22-23-20(25)15-9-5-2-6-10-15;2*1-2-4-6-5-3-1;;/h2*1-13,24H,(H,23,25);2*1-5H;;/q;;;;2*+2/p-4/b2*22-19+;;;;
InChIKeyKYAYFUWCARCIAX-CPTDTRNDSA-J
XLogP8.32
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.78
LogP ≤ 58.32
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{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
{2'-[1-(5-Bromo-2-oxidophenyl)ethylidene]benzohydrazidato(2-)}tris(pyridine)nickel(II)] pyridine solvate
CID 139067106
Bis[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate
CID 139068050
kappa^4^O,O',N,N'}(pyridine-kappaN)zinc(II)
CID 139072312
{N'-[(E)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]benzohydrazidato}pyridinenickel(II)
CID 139077098
{N'-[(E)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]-4-chlorobenzohydrazidato}pyridinenickel(II)
CID 139077160
{N'-[(E)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzohydrazidato}pyridinecopper(II)
CID 139081006
{N'-[(E)-1-(5-Bromo-2-oxidophenyl)ethylidene-kappaO]-4-methylbenzohydrazidato-kappa^2^N',O}(pyridine-kappaN)nickel(II)
CID 139081768
dicopper;bis((NE,Z)-N-[(Z)-4-oxido-4-phenylbut-3-en-2-ylidene]benzenecarbohydrazonate);4-(2-pyridin-4-ylethyl)pyridine
CID 139149742
5Br3SAP-14IbiPh
CID 139204510
Bis(1-(4-bromophenoxy)pyridin-1-ium);dioxido(4,4,4-triphenylbutoxy)borane
CID 139777911
4-Bromo-2-[[2-[(5-bromo-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15773985

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139077285) is dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine) is [Cu+2].[Cu+2].[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/c1ccccc1)c1cc(Br)ccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is KYAYFUWCARCIAX-CPTDTRNDSA-J. The full InChI is InChI=1S/2C20H15BrN2O2.2C5H5N.2Cu/c2*21-16-11-12-18(24)17(13-16)19(14-7-3-1-4-8-14)22-23-20(25)15-9-5-2-6-10-15;2*1-2-4-6-5-3-1;;/h2*1-13,24H,(H,23,25);2*1-5H;;/q;;;;2*+2/p-4/b2*22-19+;;;;.
What are the key properties of dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine)?
dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 1071.78 g/mol, XLogP of 8.32, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,Z)-N-[(5-bromo-2-oxidophenyl)-phenylmethylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).