decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate

C154H118N18O24Zn10 — CID 139158252

IUPACdecazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(C=Nc2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C24H18N2O4.10C5H5N.4C2H4O2.10Zn/c4*27-21-9-3-7-17(23(21)29)13-25-19-11-15-5-1-2-6-16(15)12-20(19)26-14-18-8-4-10-22(28)24(18)30;10*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h4*1-14,27-30H;10*1-5H;4*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;10*+2/p-20/b25-13+,26-14?;3*25-13-,26-14+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFWZPJTCOZNSCSK-VDNQOEBYSA-A
MW3258.64 g/mol
LogP16.36
Rot. Bonds16

About decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate

decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate (PubChem CID 139158252) has the molecular formula C154H118N18O24Zn10 and a molecular weight of 3258.64 g/mol. Its IUPAC name is decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate.

Molecular Properties

Compound Namedecazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate
PubChem CID139158252
Molecular FormulaC154H118N18O24Zn10
Molecular Weight3258.64 g/mol
Exact Mass3242.15
IUPAC Namedecazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(C=Nc2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C24H18N2O4.10C5H5N.4C2H4O2.10Zn/c4*27-21-9-3-7-17(23(21)29)13-25-19-11-15-5-1-2-6-16(15)12-20(19)26-14-18-8-4-10-22(28)24(18)30;10*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h4*1-14,27-30H;10*1-5H;4*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;10*+2/p-20/b25-13+,26-14?;3*25-13-,26-14+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFWZPJTCOZNSCSK-VDNQOEBYSA-A
XLogP16.36
TPSA757.26 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003258.64
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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

Dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)
CID 139138224
Dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)
CID 139138225

Frequently Asked Questions

What is the IUPAC name of decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate?
The IUPAC name of decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate (CID 139158252) is decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate.
What is the SMILES notation for decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate?
The canonical SMILES for decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(C=Nc2cc3ccccc3cc2/N=C/c2cccc([O-])c2[O-])c1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate?
The InChIKey is FWZPJTCOZNSCSK-VDNQOEBYSA-A. The full InChI is InChI=1S/4C24H18N2O4.10C5H5N.4C2H4O2.10Zn/c4*27-21-9-3-7-17(23(21)29)13-25-19-11-15-5-1-2-6-16(15)12-20(19)26-14-18-8-4-10-22(28)24(18)30;10*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;;;/h4*1-14,27-30H;10*1-5H;4*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;10*+2/p-20/b25-13+,26-14?;3*25-13-,26-14+;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate?
decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate has a molecular weight of 3258.64 g/mol, XLogP of 16.36, 16 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate is sourced from PubChem (CID 139158252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).