dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)

C65H49N9O8UZn2 — CID 139138224

IUPACdizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)
SMILES[O-]c1cccc(/C=N/c2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2ccccc2/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H16N2O4.5C5H5N.U.2Zn/c2*23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;5*1-2-4-6-5-3-1;;;/h2*1-12,23-26H;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b21-11+,22-12+;21-11-,22-12-;;;;;;;;
InChIKeyBLWTZWSCXVRISX-PUZRVEDNSA-F
MW1452.97 g/mol
LogP8.37
Rot. Bonds8

About dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)

dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+) (PubChem CID 139138224) has the molecular formula C65H49N9O8UZn2 and a molecular weight of 1452.97 g/mol. Its IUPAC name is dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+).

Molecular Properties

Compound Namedizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)
PubChem CID139138224
Molecular FormulaC65H49N9O8UZn2
Molecular Weight1452.97 g/mol
Exact Mass1449.28
IUPAC Namedizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)
SMILES[O-]c1cccc(/C=N/c2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2ccccc2/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H16N2O4.5C5H5N.U.2Zn/c2*23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;5*1-2-4-6-5-3-1;;;/h2*1-12,23-26H;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b21-11+,22-12+;21-11-,22-12-;;;;;;;;
InChIKeyBLWTZWSCXVRISX-PUZRVEDNSA-F
XLogP8.37
TPSA298.37 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.97
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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

bis(mu-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate
CID 139058293
Dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)
CID 139138225
Dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
CID 139138226
Dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)
CID 139138227
Tetracopper;tetrakis(3-[3-[(2,3-dioxidophenyl)methylideneamino]propyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);bis(uranium(4+))
CID 139155248
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;cobalt(3+);pentakis(pyridine);uranium(3+)
CID 139171050
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide
CID 139171053
dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)
CID 139180848
Decazinc;tetrakis(3-[[3-[(2,3-dioxidophenyl)methylideneamino]naphthalen-2-yl]iminomethyl]benzene-1,2-diolate);decakis(pyridine);tetraacetate
CID 139158252

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)?
The IUPAC name of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+) (CID 139138224) is dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+).
What is the SMILES notation for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)?
The canonical SMILES for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+) is [O-]c1cccc(/C=N/c2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\c2ccccc2/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)?
The InChIKey is BLWTZWSCXVRISX-PUZRVEDNSA-F. The full InChI is InChI=1S/2C20H16N2O4.5C5H5N.U.2Zn/c2*23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;5*1-2-4-6-5-3-1;;;/h2*1-12,23-26H;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b21-11+,22-12+;21-11-,22-12-;;;;;;;;.
What are the key properties of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)?
dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+) has a molecular weight of 1452.97 g/mol, XLogP of 8.37, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+) is sourced from PubChem (CID 139138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).