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

C56H52N8O8UZn2 — CID 139138226

IUPACdizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
SMILES[O-]c1cccc(/C=N/CCCC/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\CCCC/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.4C5H5N.U.2Zn/c2*21-15-7-3-5-13(17(15)23)11-19-9-1-2-10-20-12-14-6-4-8-16(22)18(14)24;4*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;4*1-5H;;;/q;;;;;;+4;2*+2/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;;;
InChIKeyYAIXIMPUSDWOKR-QUQUURKISA-F
MW1333.89 g/mol
LogP4.92
Rot. Bonds14

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

dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+) (PubChem CID 139138226) has the molecular formula C56H52N8O8UZn2 and a molecular weight of 1333.89 g/mol. Its IUPAC name is dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+).

Molecular Properties

Compound Namedizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
PubChem CID139138226
Molecular FormulaC56H52N8O8UZn2
Molecular Weight1333.89 g/mol
Exact Mass1330.30
IUPAC Namedizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
SMILES[O-]c1cccc(/C=N/CCCC/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\CCCC/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.4C5H5N.U.2Zn/c2*21-15-7-3-5-13(17(15)23)11-19-9-1-2-10-20-12-14-6-4-8-16(22)18(14)24;4*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;4*1-5H;;;/q;;;;;;+4;2*+2/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;;;
InChIKeyYAIXIMPUSDWOKR-QUQUURKISA-F
XLogP4.92
TPSA285.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.89
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]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
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
Octakis(benzene-1,2-diolate);dodecakis(oxygen(2-));tetradecakis(pyridine);decakis(titanium(4+))
CID 139163525
Octakis(benzene-1,2-diolate);chloroform;dodecakis(oxygen(2-));octakis(4-phenylpyridine);decakis(titanium(4+))
CID 139168549
Octakis(benzene-1,2-diolate);chloroform;octakis(4-methylpyridine);dodecakis(oxygen(2-));decakis(titanium(4+))
CID 139168551
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
Dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)
CID 139200414
tetrakis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(ytterbium(3+))
CID 168342856

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)?
The IUPAC name of dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+) (CID 139138226) is dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+).
What is the SMILES notation for dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)?
The canonical SMILES for dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+) is [O-]c1cccc(/C=N/CCCC/N=C/c2cccc([O-])c2[O-])c1[O-].[O-]c1cccc(/C=N\CCCC/N=C\c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)?
The InChIKey is YAIXIMPUSDWOKR-QUQUURKISA-F. The full InChI is InChI=1S/2C18H20N2O4.4C5H5N.U.2Zn/c2*21-15-7-3-5-13(17(15)23)11-19-9-1-2-10-20-12-14-6-4-8-16(22)18(14)24;4*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;4*1-5H;;;/q;;;;;;+4;2*+2/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;;;.
What are the key properties of dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)?
dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+) has a molecular weight of 1333.89 g/mol, XLogP of 4.92, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+) is sourced from PubChem (CID 139138226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).