zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine

C37H27N3O2Zn — CID 139159422

IUPACzinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine
SMILES[O-]c1c(/C=N/c2ccccc2/N=C/c2cccc(-c3ccccc3)c2[O-])cccc1-c1ccccc1.[Zn+2].c1ccncc1
InChIInChI=1S/C32H24N2O2.C5H5N.Zn/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24;1-2-4-6-5-3-1;/h1-22,35-36H;1-5H;/q;;+2/p-2/b33-21+,34-22+;;
InChIKeyYEDNRIPLBNPISL-WPBGZSBXSA-L
MW611.03 g/mol
LogP7.75
Rot. Bonds6

About zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine

zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine (PubChem CID 139159422) has the molecular formula C37H27N3O2Zn and a molecular weight of 611.03 g/mol. Its IUPAC name is zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine.

Molecular Properties

Compound Namezinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine
PubChem CID139159422
Molecular FormulaC37H27N3O2Zn
Molecular Weight611.03 g/mol
Exact Mass609.14
IUPAC Namezinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine
SMILES[O-]c1c(/C=N/c2ccccc2/N=C/c2cccc(-c3ccccc3)c2[O-])cccc1-c1ccccc1.[Zn+2].c1ccncc1
InChIInChI=1S/C32H24N2O2.C5H5N.Zn/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24;1-2-4-6-5-3-1;/h1-22,35-36H;1-5H;/q;;+2/p-2/b33-21+,34-22+;;
InChIKeyYEDNRIPLBNPISL-WPBGZSBXSA-L
XLogP7.75
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.03
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ZINC;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;quinoline
CID 139038761
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
ZINC;2-tert-butyl-6-[[3-[(3-tert-butyl-2-oxidophenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenolate;methanol;iodide
CID 139043421
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
{2,2'-[Pyridine-3,4-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
CID 139077636
Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate
CID 139085988
dizinc;acetonitrile;bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(3-[(2R)-1-methylpyrrolidin-2-yl]pyridine)
CID 139127793
dizinc;2-tert-butyl-6-[[2,4,5-tris[(3-tert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 139127794
(salen)Zn(py)
CID 139128919
(18) Dy(DBP)3(py)2
CID 139129342

Frequently Asked Questions

What is the IUPAC name of zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine?
The IUPAC name of zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine (CID 139159422) is zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine.
What is the SMILES notation for zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine?
The canonical SMILES for zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine is [O-]c1c(/C=N/c2ccccc2/N=C/c2cccc(-c3ccccc3)c2[O-])cccc1-c1ccccc1.[Zn+2].c1ccncc1.
What is the InChIKey of zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine?
The InChIKey is YEDNRIPLBNPISL-WPBGZSBXSA-L. The full InChI is InChI=1S/C32H24N2O2.C5H5N.Zn/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24;1-2-4-6-5-3-1;/h1-22,35-36H;1-5H;/q;;+2/p-2/b33-21+,34-22+;;.
What are the key properties of zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine?
zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine has a molecular weight of 611.03 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[[2-[(2-oxido-3-phenylphenyl)methylideneamino]phenyl]iminomethyl]-6-phenylphenolate;pyridine is sourced from PubChem (CID 139159422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).