tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)

C40H36Cu3N6O6 — CID 139076290

IUPACtricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)
SMILESCC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].CC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].[Cu+2].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H16N2O3.2C5H5N.3Cu/c2*1-9(2)14(19)16-17-15(20)12-8-7-10-5-3-4-6-11(10)13(12)18;2*1-2-4-6-5-3-1;;;/h2*3-9,18H,1-2H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6
InChIKeyWVWGCQONRSTKIE-UHFFFAOYSA-H
MW887.40 g/mol
LogP2.86
Rot. Bonds6

About tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)

tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine) (PubChem CID 139076290) has the molecular formula C40H36Cu3N6O6 and a molecular weight of 887.40 g/mol. Its IUPAC name is tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine).

Molecular Properties

Compound Nametricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)
PubChem CID139076290
Molecular FormulaC40H36Cu3N6O6
Molecular Weight887.40 g/mol
Exact Mass885.06
IUPAC Nametricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)
SMILESCC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].CC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].[Cu+2].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H16N2O3.2C5H5N.3Cu/c2*1-9(2)14(19)16-17-15(20)12-8-7-10-5-3-4-6-11(10)13(12)18;2*1-2-4-6-5-3-1;;;/h2*3-9,18H,1-2H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6
InChIKeyWVWGCQONRSTKIE-UHFFFAOYSA-H
XLogP2.86
TPSA213.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

dicopper;bis((NE,2Z)-3-hydroxy-N-(1-pyridin-2-ylethylidene)naphthalene-2-carbohydrazonate);methanol;dinitrate
CID 139041470
bis[oxovadnadium (Z)-2-hydroxy-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate] 4,4'-bipyridine
CID 139049204
[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)
CID 139069360
[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)
CID 139070843
Bis[(3-hydroxy-2-naphthyl)(2-pyridylmethylenehydrazono)methanolato]nickel(II)
CID 139073342
[3-Hydroxy-N'-(2-oxidobenzylidene)-2-naphthohydrazidato-kappa^3^O,N,O']tris(pyridine-kappaN)nickel(II) pyridine trisolvate
CID 139074356
Bis[mu-N'-acetyl-1-oxidonaphthalene-2-carbohydrazidato(3-)]tetrapyridinetricopper(II)
CID 139077598
Bis{mu-1-[(2-oxidophenyl)iminomethyl]-2-naphtholato}bis[pyridinecopper(II)]
CID 139078158
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
(2-Oxido-1-naphthaldehyde benzoylhydrazonato-kappa^3^N,N', O)pyridinecopper(II)
CID 168310003
Tris(anthracen-9-olate);dysprosium(3+);tris(pyridine)
CID 168341055
Beryllium bis(17,17-dimethyl-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-9-olate)
CID 58050052

Frequently Asked Questions

What is the IUPAC name of tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)?
The IUPAC name of tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine) (CID 139076290) is tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine).
What is the SMILES notation for tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)?
The canonical SMILES for tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine) is CC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].CC(C)/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].[Cu+2].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)?
The InChIKey is WVWGCQONRSTKIE-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H16N2O3.2C5H5N.3Cu/c2*1-9(2)14(19)16-17-15(20)12-8-7-10-5-3-4-6-11(10)13(12)18;2*1-2-4-6-5-3-1;;;/h2*3-9,18H,1-2H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6.
What are the key properties of tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine)?
tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine) has a molecular weight of 887.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;bis((NZ,2Z)-N-(2-methyl-1-oxidopropylidene)-1-oxidonaphthalene-2-carbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139076290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).