dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate

C52H42N12O9Zn2 — CID 139207061

IUPACdizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate
SMILESO.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[Zn+2].[Zn+2]
InChIInChI=1S/4C13H11N3O2.H2O.2Zn/c4*17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10;;;/h4*1-9,17H,(H,16,18);1H2;;/q;;;;;2*+2/p-4/b4*15-9+;;;
InChIKeyOYRSHDABKJTKHH-GUWOSLKXSA-J
MW1109.76 g/mol
LogP2.88
Rot. Bonds12

About dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate

dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate (PubChem CID 139207061) has the molecular formula C52H42N12O9Zn2 and a molecular weight of 1109.76 g/mol. Its IUPAC name is dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate.

Molecular Properties

Compound Namedizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate
PubChem CID139207061
Molecular FormulaC52H42N12O9Zn2
Molecular Weight1109.76 g/mol
Exact Mass1106.18
IUPAC Namedizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate
SMILESO.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[Zn+2].[Zn+2]
InChIInChI=1S/4C13H11N3O2.H2O.2Zn/c4*17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10;;;/h4*1-9,17H,(H,16,18);1H2;;/q;;;;;2*+2/p-4/b4*15-9+;;;
InChIKeyOYRSHDABKJTKHH-GUWOSLKXSA-J
XLogP2.88
TPSA355.10 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.76
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

Analyze dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
CID 135439973
[(E)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-[(Z)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-nickel
CID 135484770
[(Z)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-[(E)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-copper
CID 135484771
bis(benzene-1,3-diol);bis(4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine);hydrate
CID 139037238
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-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139049922
4,4'-Biphenol-4,4'-bipyridyl (1/1)
CID 139056979
bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Bis(mu-2,4-dihydroxyacetophenone salicylhydrazidato)bis[pyridinezinc(II)] dimethylformamide disolvate
CID 139068212
Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato]copper(II)
CID 139069835
Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)
CID 139070223

Frequently Asked Questions

What is the IUPAC name of dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate?
The IUPAC name of dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate (CID 139207061) is dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate.
What is the SMILES notation for dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate?
The canonical SMILES for dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate is O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate?
The InChIKey is OYRSHDABKJTKHH-GUWOSLKXSA-J. The full InChI is InChI=1S/4C13H11N3O2.H2O.2Zn/c4*17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10;;;/h4*1-9,17H,(H,16,18);1H2;;/q;;;;;2*+2/p-4/b4*15-9+;;;.
What are the key properties of dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate?
dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate has a molecular weight of 1109.76 g/mol, XLogP of 2.88, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetrakis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hydrate is sourced from PubChem (CID 139207061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).