zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

C40H34Cl2N6O4Zn — CID 139066978

IUPACzinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H13ClN2O2.2C5H5N.Zn/c2*1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11;2*1-2-4-6-5-3-1;/h2*2-9,19H,1H3,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-10+;;;
InChIKeySFQOFLNUEDDNEC-FAZCOASCSA-L
MW799.05 g/mol
LogP7.31
Rot. Bonds6

About zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139066978) has the molecular formula C40H34Cl2N6O4Zn and a molecular weight of 799.05 g/mol. Its IUPAC name is zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namezinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
PubChem CID139066978
Molecular FormulaC40H34Cl2N6O4Zn
Molecular Weight799.05 g/mol
Exact Mass796.13
IUPAC Namezinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H13ClN2O2.2C5H5N.Zn/c2*1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11;2*1-2-4-6-5-3-1;/h2*2-9,19H,1H3,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-10+;;;
InChIKeySFQOFLNUEDDNEC-FAZCOASCSA-L
XLogP7.31
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.05
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

3-[2-(3-Chlorophenyl)-6-pyridin-3-yl-4-pyridinyl]phenol
CID 60143775
3-[2-(3-Chlorophenyl)-6-pyridin-4-yl-4-pyridinyl]phenol
CID 60143933
4-[2-(3-Chlorophenyl)-6-pyridin-3-yl-4-pyridinyl]phenol
CID 136043231
4-[2-(3-Chlorophenyl)-6-pyridin-4-yl-4-pyridinyl]phenol
CID 136043232
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate
CID 139060434
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-kappa^3^O,N^2'^,O']benzhydrazido}tris(pyridine-kappaN)nickel(II) pyridine solvate
CID 139066985
bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-kappa^2^N,O)bis(pyridine-kappaN)cobalt(II)
CID 139071627
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
trans-Bis[acetone (2-hydroxybenzoyl)hydrazonato-kappa^2^N',O]bis(pyridine-kappaN)zinc(II)
CID 139075998

Frequently Asked Questions

What is the IUPAC name of zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139066978) is zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is C/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1cc(Cl)ccc1O.[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is SFQOFLNUEDDNEC-FAZCOASCSA-L. The full InChI is InChI=1S/2C15H13ClN2O2.2C5H5N.Zn/c2*1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11;2*1-2-4-6-5-3-1;/h2*2-9,19H,1H3,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-10+;;;.
What are the key properties of zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 799.05 g/mol, XLogP of 7.31, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis((NZ,Z)-N-[1-(5-chloro-2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139066978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).