tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc

C74H98N16O18Zn8-6 — CID 135462671

IUPACtetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc
SMILESCO.CO.ON=C(C1=CC=CC[N-]1)c1ccccn1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(c1ccccn1)C1CCCC[N-]1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C11H19N3O.C11H14N3O.C11H10N3O.4C7H7NO3.2CH4O.8Zn/c4*15-14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*9-6-4-2-1-3-5(6)7(10)8-11;2*1-2;;;;;;;;/h2*9-10,15H,1-8H2;1,3,5,7,10,15H,2,4,6,8H2;1-7,15H,8H2;4*1-4,9,11H,(H,8,10);2*2H,1H3;;;;;;;;/q2*-2;2*-1;;;;;;;;;;;;;;
InChIKeyAEDDGJVVONGYSN-UHFFFAOYSA-N
MW2022.81 g/mol
LogP13.15
Rot. Bonds12

About tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc

tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc (PubChem CID 135462671) has the molecular formula C74H98N16O18Zn8-6 and a molecular weight of 2022.81 g/mol. Its IUPAC name is tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc.

Molecular Properties

Compound Nametetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc
PubChem CID135462671
Molecular FormulaC74H98N16O18Zn8-6
Molecular Weight2022.81 g/mol
Exact Mass2010.16
IUPAC Nametetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc
SMILESCO.CO.ON=C(C1=CC=CC[N-]1)c1ccccn1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(c1ccccn1)C1CCCC[N-]1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C11H19N3O.C11H14N3O.C11H10N3O.4C7H7NO3.2CH4O.8Zn/c4*15-14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*9-6-4-2-1-3-5(6)7(10)8-11;2*1-2;;;;;;;;/h2*9-10,15H,1-8H2;1,3,5,7,10,15H,2,4,6,8H2;1-7,15H,8H2;4*1-4,9,11H,(H,8,10);2*2H,1H3;;;;;;;;/q2*-2;2*-1;;;;;;;;;;;;;;
InChIKeyAEDDGJVVONGYSN-UHFFFAOYSA-N
XLogP13.15
TPSA573.40 Ų
H-Bond Donors18
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.81
LogP ≤ 513.15
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc with MolForge

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Related Compounds

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis(terbium(3+))
CID 139179208
tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179210
tetrakis(gadolinium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179211
tetrakis(holmium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179212
bis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(2-[[(2R)-1-hydroxy-3-oxidopropan-2-yl]iminomethyl]phenolate);tetrakis(manganese(3+));dichloride;hydroxide
CID 168349945
2-(2-Hydroxyphenyl)phenol;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;phenylbenzene;2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine;bis(2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);platinum(2+);tris(platinum(4+));2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine
CID 159276437
Tris(2-(2-hydroxyphenyl)phenol);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylphenol);4-phenyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;platinum;bis(platinum(2+))
CID 160904741
Tris(2-(2-hydroxyphenyl)phenol);1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;bis(2-phenyl-6-(6-phenyl-2-pyridinyl)pyridine);2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;tris(platinum(2+));platinum(4+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine
CID 162019804
Tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)
CID 162077827
hexacopper;bis(N,N-dimethylformamide);ethoxyethane;bis(4-methyl-2-[[[6-[[(5-methyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrahydroxide;tetraperchlorate
CID 139199469

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc?
The IUPAC name of tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc (CID 135462671) is tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc.
What is the SMILES notation for tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc?
The canonical SMILES for tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc is CO.CO.ON=C(C1=CC=CC[N-]1)c1ccccn1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(C1CCCC[N-]1)C1CCCC[N-]1.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(O)c1ccccc1O.ON=C(c1ccccn1)C1CCCC[N-]1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc?
The InChIKey is AEDDGJVVONGYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N3O.C11H14N3O.C11H10N3O.4C7H7NO3.2CH4O.8Zn/c4*15-14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*9-6-4-2-1-3-5(6)7(10)8-11;2*1-2;;;;;;;;/h2*9-10,15H,1-8H2;1,3,5,7,10,15H,2,4,6,8H2;1-7,15H,8H2;4*1-4,9,11H,(H,8,10);2*2H,1H3;;;;;;;;/q2*-2;2*-1;;;;;;;;;;;;;;.
What are the key properties of tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc?
tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc has a molecular weight of 2022.81 g/mol, XLogP of 13.15, 12 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc is sourced from PubChem (CID 135462671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).