tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate

C50H58N10Ni3O11 — CID 139067841

IUPACtetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O.[Ni+2].[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12N2O3.2C5H5N.4C3H7NO.3Ni.H2O/c2*17-12-9-5-4-8-11(12)14(19)16-15-13(18)10-6-2-1-3-7-10;2*1-2-4-6-5-3-1;4*1-4(2)3-5;;;;/h2*1-9,17H,(H,15,18)(H,16,19);2*1-5H;4*3H,1-2H3;;;;1H2/q;;;;;;;;3*+2;/p-6
InChIKeyBEBPZLSUWXRLGW-UHFFFAOYSA-H
MW1151.15 g/mol
LogP-0.67
Rot. Bonds10

About tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate

tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate (PubChem CID 139067841) has the molecular formula C50H58N10Ni3O11 and a molecular weight of 1151.15 g/mol. Its IUPAC name is tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate.

Molecular Properties

Compound Nametetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate
PubChem CID139067841
Molecular FormulaC50H58N10Ni3O11
Molecular Weight1151.15 g/mol
Exact Mass1148.23
IUPAC Nametetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O.[Ni+2].[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12N2O3.2C5H5N.4C3H7NO.3Ni.H2O/c2*17-12-9-5-4-8-11(12)14(19)16-15-13(18)10-6-2-1-3-7-10;2*1-2-4-6-5-3-1;4*1-4(2)3-5;;;;/h2*1-9,17H,(H,15,18)(H,16,19);2*1-5H;4*3H,1-2H3;;;;1H2/q;;;;;;;;3*+2;/p-6
InChIKeyBEBPZLSUWXRLGW-UHFFFAOYSA-H
XLogP-0.67
TPSA326.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
CID 135439973
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{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
[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)
CID 139070843
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
[mu-1,2-Disalicyloylhydrazine(2-)-kappa^3^N,O,O':kappa^3^N',O'',O''']bis[tripyridinenickel(II)] pyridine disolvate
CID 139072730
Bis[mu-N'-isobutyryl-1-oxidonaphthalene-2-carbohydrazidato(3-)]dipyridinetricopper(II)
CID 139076290
Bis[mu~2~-N'-acetyl-2-hydroxy-6-oxidobenzohydrazidato(3-)]octapyridinetrinickel(II)
CID 139076786

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate?
The IUPAC name of tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate (CID 139067841) is tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate.
What is the SMILES notation for tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate?
The canonical SMILES for tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.O.[Ni+2].[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate?
The InChIKey is BEBPZLSUWXRLGW-UHFFFAOYSA-H. The full InChI is InChI=1S/2C14H12N2O3.2C5H5N.4C3H7NO.3Ni.H2O/c2*17-12-9-5-4-8-11(12)14(19)16-15-13(18)10-6-2-1-3-7-10;2*1-2-4-6-5-3-1;4*1-4(2)3-5;;;;/h2*1-9,17H,(H,15,18)(H,16,19);2*1-5H;4*3H,1-2H3;;;;1H2/q;;;;;;;;3*+2;/p-6.
What are the key properties of tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate?
tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate has a molecular weight of 1151.15 g/mol, XLogP of -0.67, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-dimethylformamide);tris(nickel(2+));bis((NZ,1Z)-2-oxido-N-[oxido(phenyl)methylidene]benzenecarbohydrazonate);bis(pyridine);hydrate is sourced from PubChem (CID 139067841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).