trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)

C40H32N6O8Zn3 — CID 139070843

IUPACtrizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)
SMILESCOc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].COc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O4.2C5H5N.3Zn/c2*1-21-13-9-5-3-7-11(13)15(20)17-16-14(19)10-6-2-4-8-12(10)18;2*1-2-4-6-5-3-1;;;/h2*2-9,18H,1H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6
InChIKeyIKHKKRDVZDAUHT-UHFFFAOYSA-H
MW920.90 g/mol
LogP1.35
Rot. Bonds8

About trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)

trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine) (PubChem CID 139070843) has the molecular formula C40H32N6O8Zn3 and a molecular weight of 920.90 g/mol. Its IUPAC name is trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Nametrizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)
PubChem CID139070843
Molecular FormulaC40H32N6O8Zn3
Molecular Weight920.90 g/mol
Exact Mass916.02
IUPAC Nametrizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)
SMILESCOc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].COc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O4.2C5H5N.3Zn/c2*1-21-13-9-5-3-7-11(13)15(20)17-16-14(19)10-6-2-4-8-12(10)18;2*1-2-4-6-5-3-1;;;/h2*2-9,18H,1H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6
InChIKeyIKHKKRDVZDAUHT-UHFFFAOYSA-H
XLogP1.35
TPSA232.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.90
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;bis(1-methoxy-2-propan-2-ylbenzene);bis(pyridine);1,1,1-trifluoroethane
CID 157640150
4-[2-[4-[2,2-Bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine
CID 134955231
bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
CID 139043809
bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
Bis{mu-N'-[1-(2-oxidophenyl)ethylidene]-3-methoxybenzohydrazidato}bis[pyridinezinc(II)] pyridine solvate
CID 139066864
Bis(dimethylformamide-2kappaO)bis[mu-1-(2-oxidobenzoyl)-2-(phenoxyacetyl)hydrazine(3-)]-1kappa^3^O,N,O':2kappa^2^N,O'';2kappa^2^N,O'':3kappa^3^O,N,O'-dipyridine-1kappaN,3kappaN-trinickel(II)
CID 139072553
Bis[mu-N'-isobutyryl-1-oxidonaphthalene-2-carbohydrazidato(3-)]dipyridinetricopper(II)
CID 139076290
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
[mu~2~-N^2^,N^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]
CID 139086204
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) gamma
CID 139146570
gamma-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) gamma-picoline solvate
CID 139146571

Frequently Asked Questions

What is the IUPAC name of trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine) (CID 139070843) is trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine) is COc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].COc1ccccc1/C([O-])=N/N=C(\[O-])c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)?
The InChIKey is IKHKKRDVZDAUHT-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H14N2O4.2C5H5N.3Zn/c2*1-21-13-9-5-3-7-11(13)15(20)17-16-14(19)10-6-2-4-8-12(10)18;2*1-2-4-6-5-3-1;;;/h2*2-9,18H,1H3,(H,16,19)(H,17,20);2*1-5H;;;/q;;;;3*+2/p-6.
What are the key properties of trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine)?
trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine) has a molecular weight of 920.90 g/mol, XLogP of 1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;bis((NZ,1Z)-N-[(2-methoxyphenyl)-oxidomethylidene]-2-oxidobenzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139070843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).