dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide

C44H36I18N16Zn2 — CID 139180745

IUPACdizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide
SMILESC(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.C(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.II.II.II.I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Zn+2].[Zn+2]
InChIInChI=1S/2C22H18N8.4I3.3I2.2Zn/c2*1-3-13-23-17(7-1)15-25-29-21-11-5-9-19(27-21)20-10-6-12-22(28-20)30-26-16-18-8-2-4-14-24-18;4*1-3-2;3*1-2;;/h2*1-16H,(H,27,29)(H,28,30);;;;;;;;;/q;;4*-1;;;;2*+2/b2*25-15-,26-16+;;;;;;;;;
InChIKeyGDPUWVMKIJBOQB-WRVCNKSPSA-N
MW3203.94 g/mol
LogP8.06
Rot. Bonds14

About dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide

dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide (PubChem CID 139180745) has the molecular formula C44H36I18N16Zn2 and a molecular weight of 3203.94 g/mol. Its IUPAC name is dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide.

Molecular Properties

Compound Namedizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide
PubChem CID139180745
Molecular FormulaC44H36I18N16Zn2
Molecular Weight3203.94 g/mol
Exact Mass3200.47
IUPAC Namedizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide
SMILESC(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.C(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.II.II.II.I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Zn+2].[Zn+2]
InChIInChI=1S/2C22H18N8.4I3.3I2.2Zn/c2*1-3-13-23-17(7-1)15-25-29-21-11-5-9-19(27-21)20-10-6-12-22(28-20)30-26-16-18-8-2-4-14-24-18;4*1-3-2;3*1-2;;/h2*1-16H,(H,27,29)(H,28,30);;;;;;;;;/q;;4*-1;;;;2*+2/b2*25-15-,26-16+;;;;;;;;;
InChIKeyGDPUWVMKIJBOQB-WRVCNKSPSA-N
XLogP8.06
TPSA200.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.94
LogP ≤ 58.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

dysprosium(3+);bis(N-[(E)-1-[6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridin-2-amine);tris(trifluoromethanesulfonate)
CID 139187110
erbium(3+);bis(N-[(E)-1-[6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridin-2-amine);tris(trifluoromethanesulfonate)
CID 139187111
tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide
CID 139180828
tetrakis(acetonitrile);tris(molecular iodine);tetrakis(nickel(2+));tetrakis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);diiodide;hexatriiodide
CID 139180829
bis([[(2Z)-2-[amino(pyridin-2-yl)methylidene]hydrazinyl]-pyridin-2-ylmethylidene]azanide);tetrakis(manganese(2+));bis(2-(5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);diazide;dihydrate
CID 168336956
iron(3+);bis(N-[(E)-pyridin-2-ylmethylideneamino]pyridin-2-amine);chloride
CID 54601708
bis(2-[[3-[[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]methyl]pyridine);2-[[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-6-(phenylmethyl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-6-[[3-(phenylmethyl)benzene-2-id-1-yl]methyl]pyridine;tetrakis(palladium)
CID 157855932
bis(2-[[3-[[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]benzene-2-id-1-yl]methyl]pyridine);2-[[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-6-(phenylmethyl)pyridine;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-6-[[3-(phenylmethyl)benzene-2-id-1-yl]methyl]pyridine;platinum
CID 157879204
Cobalt(2+);cobalt(3+);tetrakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
CID 161855051
cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
CID 162153210
[6-[(5-methylpyrazol-1-id-3-yl)methyl]-2-pyridinyl]methanamine;1-[[6-[(5-methylpyrazol-1-id-3-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-ide;platinum
CID 170690795
Ethane;(pyridin-2-ylamino)azanide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 172316112

Frequently Asked Questions

What is the IUPAC name of dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The IUPAC name of dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide (CID 139180745) is dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide.
What is the SMILES notation for dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The canonical SMILES for dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide is C(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.C(=N\Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.II.II.II.I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The InChIKey is GDPUWVMKIJBOQB-WRVCNKSPSA-N. The full InChI is InChI=1S/2C22H18N8.4I3.3I2.2Zn/c2*1-3-13-23-17(7-1)15-25-29-21-11-5-9-19(27-21)20-10-6-12-22(28-20)30-26-16-18-8-2-4-14-24-18;4*1-3-2;3*1-2;;/h2*1-16H,(H,27,29)(H,28,30);;;;;;;;;/q;;4*-1;;;;2*+2/b2*25-15-,26-16+;;;;;;;;;.
What are the key properties of dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide has a molecular weight of 3203.94 g/mol, XLogP of 8.06, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tris(molecular iodine);bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide is sourced from PubChem (CID 139180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).