zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)

C40H41N3O9UZn — CID 139068803

IUPACzinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)
SMILESC1CCOC1.CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccc(/C=N/Cc2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].c1ccncc1
InChIInChI=1S/C21H18N2O4.C5H5N.2C5H8O2.C4H8O.U.Zn/c24-18-9-3-6-15(20(18)26)12-22-11-14-5-1-2-8-17(14)23-13-16-7-4-10-19(25)21(16)27;1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2-4-5-3-1;;/h1-10,12-13,24-27H,11H2;1-5H;2*3,6H,1-2H3;1-4H2;;/q;;;;;+4;+2/p-6/b22-12+,23-13+;;2*4-3-;;;
InChIKeyHGFISNQSWHBSSW-WCAQCWKMSA-H
MW1011.20 g/mol
LogP2.91
Rot. Bonds7

About zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)

zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) (PubChem CID 139068803) has the molecular formula C40H41N3O9UZn and a molecular weight of 1011.20 g/mol. Its IUPAC name is zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+).

Molecular Properties

Compound Namezinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)
PubChem CID139068803
Molecular FormulaC40H41N3O9UZn
Molecular Weight1011.20 g/mol
Exact Mass1009.26
IUPAC Namezinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)
SMILESC1CCOC1.CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccc(/C=N/Cc2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].c1ccncc1
InChIInChI=1S/C21H18N2O4.C5H5N.2C5H8O2.C4H8O.U.Zn/c24-18-9-3-6-15(20(18)26)12-22-11-14-5-1-2-8-17(14)23-13-16-7-4-10-19(25)21(16)27;1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2-4-5-3-1;;/h1-10,12-13,24-27H,11H2;1-5H;2*3,6H,1-2H3;1-4H2;;/q;;;;;+4;+2/p-6/b22-12+,23-13+;;2*4-3-;;;
InChIKeyHGFISNQSWHBSSW-WCAQCWKMSA-H
XLogP2.91
TPSA219.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)?
The IUPAC name of zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) (CID 139068803) is zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+).
What is the SMILES notation for zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)?
The canonical SMILES for zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) is C1CCOC1.CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccc(/C=N/Cc2ccccc2/N=C/c2cccc([O-])c2[O-])c1[O-].[U+4].[Zn+2].c1ccncc1.
What is the InChIKey of zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)?
The InChIKey is HGFISNQSWHBSSW-WCAQCWKMSA-H. The full InChI is InChI=1S/C21H18N2O4.C5H5N.2C5H8O2.C4H8O.U.Zn/c24-18-9-3-6-15(20(18)26)12-22-11-14-5-1-2-8-17(14)23-13-16-7-4-10-19(25)21(16)27;1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2-4-5-3-1;;/h1-10,12-13,24-27H,11H2;1-5H;2*3,6H,1-2H3;1-4H2;;/q;;;;;+4;+2/p-6/b22-12+,23-13+;;2*4-3-;;;.
What are the key properties of zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+)?
zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) has a molecular weight of 1011.20 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]methyliminomethyl]benzene-1,2-diolate;oxolane;bis((Z)-4-oxopent-2-en-2-olate);pyridine;uranium(4+) is sourced from PubChem (CID 139068803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).