dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)

C59H47N7O8UZn2 — CID 139138225

About dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)

dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+) (PubChem CID 139138225) has the molecular formula C59H47N7O8UZn2 and a molecular weight of 1350.87 g/mol. Its IUPAC name is dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+).

Molecular Properties

• Compound Name: dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)
• PubChem CID: 139138225
• Molecular Formula: C59H47N7O8UZn2
• Molecular Weight: 1350.87 g/mol
• Exact Mass: 1347.26
• IUPAC Name: dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)
• SMILES: Cc1cc(/N=C/c2cccc([O-])c2[O-])c(/N=C/c2cccc([O-])c2[O-])cc1C.Cc1cc(/N=C\c2cccc([O-])c2[O-])c(/N=C\c2cccc([O-])c2[O-])cc1C.[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C22H20N2O4.3C5H5N.U.2Zn/c2*1-13-9-17(23-11-15-5-3-7-19(25)21(15)27)18(10-14(13)2)24-12-16-6-4-8-20(26)22(16)28;3*1-2-4-6-5-3-1;;;/h2*3-12,25-28H,1-2H3;3*1-5H;;;/q;;;;;+4;2*+2/p-8/b23-11+,24-12+;23-11-,24-12-
• InChIKey: WZPICEIHBIGVGZ-YWMCZRGDSA-F
• XLogP: 7.44
• TPSA: 272.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.87
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)?

The IUPAC name of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+) (CID 139138225) is dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+).

What is the SMILES notation for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)?

The canonical SMILES for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+) is Cc1cc(/N=C/c2cccc([O-])c2[O-])c(/N=C/c2cccc([O-])c2[O-])cc1C.Cc1cc(/N=C\c2cccc([O-])c2[O-])c(/N=C\c2cccc([O-])c2[O-])cc1C.[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)?

The InChIKey is WZPICEIHBIGVGZ-YWMCZRGDSA-F. The full InChI is InChI=1S/2C22H20N2O4.3C5H5N.U.2Zn/c2*1-13-9-17(23-11-15-5-3-7-19(25)21(15)27)18(10-14(13)2)24-12-16-6-4-8-20(26)22(16)28;3*1-2-4-6-5-3-1;;;/h2*3-12,25-28H,1-2H3;3*1-5H;;;/q;;;;;+4;2*+2/p-8/b23-11+,24-12+;23-11-,24-12-;;;;;;.

What are the key properties of dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+)?

dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+) has a molecular weight of 1350.87 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]-4,5-dimethylphenyl]iminomethyl]benzene-1,2-diolate);tris(pyridine);uranium(4+) is sourced from PubChem (CID 139138225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).