dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

C46H48N8O10Zn2 — CID 139068212

IUPACdizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].C/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].CN(C)C=O.CN(C)C=O.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O4.2C5H5N.2C3H7NO.2Zn/c2*1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19;2*1-2-4-6-5-3-1;2*1-4(2)3-5;;/h2*2-8,18-20H,1H3,(H,17,21);2*1-5H;2*3H,1-2H3;;/q;;;;;;2*+2/p-4/b2*16-9+;;;;;;
InChIKeyVYEQBMQMFIOCSJ-FNJOSYOWSA-J
MW1003.72 g/mol
LogP2.97
Rot. Bonds8

About dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139068212) has the molecular formula C46H48N8O10Zn2 and a molecular weight of 1003.72 g/mol. Its IUPAC name is dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namedizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
PubChem CID139068212
Molecular FormulaC46H48N8O10Zn2
Molecular Weight1003.72 g/mol
Exact Mass1000.21
IUPAC Namedizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].C/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].CN(C)C=O.CN(C)C=O.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O4.2C5H5N.2C3H7NO.2Zn/c2*1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19;2*1-2-4-6-5-3-1;2*1-4(2)3-5;;/h2*2-8,18-20H,1H3,(H,17,21);2*1-5H;2*3H,1-2H3;;/q;;;;;;2*+2/p-4/b2*16-9+;;;;;;
InChIKeyVYEQBMQMFIOCSJ-FNJOSYOWSA-J
XLogP2.97
TPSA289.00 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.72
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
CID 139044181
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
trans-Bis[acetone (2-hydroxybenzoyl)hydrazonato-kappa^2^N',O]bis(pyridine-kappaN)zinc(II)
CID 139075998
Bis[mu~2~-N'-acetyl-2-hydroxy-6-oxidobenzohydrazidato(3-)]octapyridinetrinickel(II)
CID 139076786
C-Methylcalix[4]resorcinarene-1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)
CID 139083045
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
bis((NE,1Z)-2-hydroxy-N-[phenyl(pyridin-2-yl)methylidene]benzenecarbohydrazonate);iron(2+)
CID 139161500
zinc bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)
CID 139194938
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;3-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 161586533
Bis(dimethylformamide)-2kappa^2^O-dipyridine-1kappaN,3kappaN-bis(mu-2'-salicylbenzohydrazidato)-1kappa^4^O,N,N',O':2kappa^2^N,O'';2kappa^2^N,O'':3kappa^4^O,N,N',O'-trinickel(II) dimethylformamide disolvate hemihydrate
CID 139067841
zinc;2-[[(Z)-1,2-dicyano-2-[(4-hydroxy-2-oxidophenyl)methylideneamino]ethenyl]iminomethyl]-5-hydroxyphenolate;methanol;4-pyridin-4-ylpyridine
CID 139205618

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139068212) is dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is C/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].C/C(=N\N=C(/[O-])c1ccccc1O)c1ccc(O)cc1[O-].CN(C)C=O.CN(C)C=O.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is VYEQBMQMFIOCSJ-FNJOSYOWSA-J. The full InChI is InChI=1S/2C15H14N2O4.2C5H5N.2C3H7NO.2Zn/c2*1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19;2*1-2-4-6-5-3-1;2*1-4(2)3-5;;/h2*2-8,18-20H,1H3,(H,17,21);2*1-5H;2*3H,1-2H3;;/q;;;;;;2*+2/p-4/b2*16-9+;;;;;;.
What are the key properties of dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 1003.72 g/mol, XLogP of 2.97, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(N,N-dimethylformamide);bis((NE,1Z)-2-hydroxy-N-[1-(4-hydroxy-2-oxidophenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139068212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).