dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)

C50H34Cl4N6O4Zn2 — CID 139072345

IUPACdizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
SMILES[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H14Cl2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;
InChIKeyGVNXYWFCLPEHBO-UJAOTKAPSA-J
MW1055.45 g/mol
LogP11.44
Rot. Bonds8

About dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)

dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) (PubChem CID 139072345) has the molecular formula C50H34Cl4N6O4Zn2 and a molecular weight of 1055.45 g/mol. Its IUPAC name is dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine).

Molecular Properties

Compound Namedizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
PubChem CID139072345
Molecular FormulaC50H34Cl4N6O4Zn2
Molecular Weight1055.45 g/mol
Exact Mass1050.00
IUPAC Namedizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
SMILES[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H14Cl2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;
InChIKeyGVNXYWFCLPEHBO-UJAOTKAPSA-J
XLogP11.44
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.45
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) with MolForge

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Related Compounds

Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
Di-mu-acetato-kappa^2^O:O;kappa^2^O:O'-bis[(6-chloro-2-{(E)-[(pyridin-2-yl)methylimino]methyl}phenolato-kappa^3^N,N',O)dizinc(II)]
CID 139061695
Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido-kappa^2^O,N^2'^}bis(pyridine-kappaN)zinc(II)
CID 139066978
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-kappaN]phenolato-kappaO}copper(II)
CID 139076930
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
Bis{mu-4-chloro-N'-[(E)-1-(5-chloro-2-oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)]
CID 139082440
Bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);methanol;isothiocyanate
CID 139165226
tBu-Ni-tBu-Ni-Bip
CID 139168364
Dicopper;bis(2-(benzyliminomethyl)-4,6-dichlorophenolate);bis(pyridin-2-ylmethanolate)
CID 139173108
Bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)
CID 139187307
Tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))
CID 139187308

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The IUPAC name of dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) (CID 139072345) is dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine).
What is the SMILES notation for dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The canonical SMILES for dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) is [O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The InChIKey is GVNXYWFCLPEHBO-UJAOTKAPSA-J. The full InChI is InChI=1S/2C20H14Cl2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;.
What are the key properties of dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) has a molecular weight of 1055.45 g/mol, XLogP of 11.44, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(4-chloro-2-[[2-[(5-chloro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) is sourced from PubChem (CID 139072345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).