2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate

C21H27DyN6O11 — CID 139158912

IUPAC2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate
SMILESCN(C)C=O.CN(C)C=O.COc1cccc(/C=N/NC(=O)c2ccccc2)c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3]
InChIInChI=1S/C15H14N2O3.2C3H7NO.Dy.2NO3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;2*1-4(2)3-5;;2*2-1(3)4/h2-10,18H,1H3,(H,17,19);2*3H,1-2H3;;;/q;;;+3;2*-1/p-1/b16-10+;;;;;
InChIKeySYWDCXNNEABCQF-BADOYKKRSA-M
MW701.98 g/mol
LogP0.46
Rot. Bonds6

About 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate

2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate (PubChem CID 139158912) has the molecular formula C21H27DyN6O11 and a molecular weight of 701.98 g/mol. Its IUPAC name is 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate.

Molecular Properties

Compound Name2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate
PubChem CID139158912
Molecular FormulaC21H27DyN6O11
Molecular Weight701.98 g/mol
Exact Mass703.10
IUPAC Name2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate
SMILESCN(C)C=O.CN(C)C=O.COc1cccc(/C=N/NC(=O)c2ccccc2)c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3]
InChIInChI=1S/C15H14N2O3.2C3H7NO.Dy.2NO3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;2*1-4(2)3-5;;2*2-1(3)4/h2-10,18H,1H3,(H,17,19);2*3H,1-2H3;;;/q;;;+3;2*-1/p-1/b16-10+;;;;;
InChIKeySYWDCXNNEABCQF-BADOYKKRSA-M
XLogP0.46
TPSA246.77 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.98
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(manganese(2+));methanol;perchlorate
CID 139078944
tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(dysprosium(3+));ethanol;triisothiocyanate
CID 139140670
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
tetracopper;bis(2,6-bis[(E)-(benzoylhydrazinylidene)methyl]-4-methylphenolate);methanolate;dinitrate
CID 139141318
4-(dimethylamino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 135927147
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
heptakis(cobalt(2+));hexakis(2-methoxy-6-(methyliminomethyl)phenolate);hexahydroxide;dinitrate
CID 139158186
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
octakis(holmium(3+));octakis(2-methoxy-6-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenolate);tetrakis(oxygen(2-));tetraacetate;dicarbonate
CID 139179069
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
bis(2-methoxy-6-[2-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenolate);bis(yttrium(3+));dinitrate
CID 139116350
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate?
The IUPAC name of 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate (CID 139158912) is 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate.
What is the SMILES notation for 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate?
The canonical SMILES for 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate is CN(C)C=O.CN(C)C=O.COc1cccc(/C=N/NC(=O)c2ccccc2)c1[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].
What is the InChIKey of 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate?
The InChIKey is SYWDCXNNEABCQF-BADOYKKRSA-M. The full InChI is InChI=1S/C15H14N2O3.2C3H7NO.Dy.2NO3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;2*1-4(2)3-5;;2*2-1(3)4/h2-10,18H,1H3,(H,17,19);2*3H,1-2H3;;;/q;;;+3;2*-1/p-1/b16-10+;;;;;.
What are the key properties of 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate?
2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate has a molecular weight of 701.98 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate is sourced from PubChem (CID 139158912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).