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

C46H42Cu2N6O8U — CID 139138227

IUPACdicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)
SMILES[Cu+2].[Cu+2].[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].c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.2C5H5N.2Cu.U/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;2*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;2*1-5H;;;/q;;;;2*+2;+4/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;
InChIKeyLHNUPZFJIPENCI-LDPYLFIUSA-F
MW1172.00 g/mol
LogP2.76
Rot. Bonds14

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

dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+) (PubChem CID 139138227) has the molecular formula C46H42Cu2N6O8U and a molecular weight of 1172.00 g/mol. Its IUPAC name is dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+).

Molecular Properties

Compound Namedicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)
PubChem CID139138227
Molecular FormulaC46H42Cu2N6O8U
Molecular Weight1172.00 g/mol
Exact Mass1170.22
IUPAC Namedicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)
SMILES[Cu+2].[Cu+2].[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].c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.2C5H5N.2Cu.U/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;2*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;2*1-5H;;;/q;;;;2*+2;+4/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;
InChIKeyLHNUPZFJIPENCI-LDPYLFIUSA-F
XLogP2.76
TPSA259.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001172.00
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
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
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
Dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
CID 139138226
Tetracopper;tetrakis(3-[3-[(2,3-dioxidophenyl)methylideneamino]propyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);bis(uranium(4+))
CID 139155248
bis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;hexakis((Z)-4-oxopent-2-en-2-olate);tetrakis(samarium(3+))
CID 168342852

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)?
The IUPAC name of dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+) (CID 139138227) is dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+).
What is the SMILES notation for dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)?
The canonical SMILES for dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+) is [Cu+2].[Cu+2].[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].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)?
The InChIKey is LHNUPZFJIPENCI-LDPYLFIUSA-F. The full InChI is InChI=1S/2C18H20N2O4.2C5H5N.2Cu.U/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;2*1-2-4-6-5-3-1;;;/h2*3-8,11-12,21-24H,1-2,9-10H2;2*1-5H;;;/q;;;;2*+2;+4/p-8/b19-11+,20-12+;19-11-,20-12-;;;;;.
What are the key properties of dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+)?
dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+) has a molecular weight of 1172.00 g/mol, XLogP of 2.76, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);bis(pyridine);uranium(4+) is sourced from PubChem (CID 139138227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).