copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate

C26H20CuN2O4 — CID 139078115

IUPACcopper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate
SMILESO.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H11O3.C12H8N2.Cu.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10H,(H,15,16);1-8H;;1H2/q-1;;+2;/p-1
InChIKeyBCDFGZKEIRWILK-UHFFFAOYSA-M
MW488.00 g/mol
LogP2.00
Rot. Bonds3

About copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate

copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate (PubChem CID 139078115) has the molecular formula C26H20CuN2O4 and a molecular weight of 488.00 g/mol. Its IUPAC name is copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate.

Molecular Properties

Compound Namecopper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate
PubChem CID139078115
Molecular FormulaC26H20CuN2O4
Molecular Weight488.00 g/mol
Exact Mass487.07
IUPAC Namecopper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate
SMILESO.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H11O3.C12H8N2.Cu.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10H,(H,15,16);1-8H;;1H2/q-1;;+2;/p-1
InChIKeyBCDFGZKEIRWILK-UHFFFAOYSA-M
XLogP2.00
TPSA120.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.00
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Copper;oxalate;bis(1,10-phenanthroline)
CID 176468463
4,4'-(1,10-Phenanthroline-3,8-diyl)dibenzoic acid
CID 91392357
Dimethyl 4,4'-(1,10-phenanthroline-3,8-diyl)dibenzoate
CID 129280113
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606763
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787
tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
CID 139039575
Dicopper;bis(9-oxidofluorene-9-carboxylate);bis(1,10-phenanthroline);dihydrate
CID 139053577
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772
Benzene-1,2-diolate;palladium(2+);1,10-phenanthroline;dihydrate
CID 139066065
mu-Aqua-bis(mu-2'-carboxybiphenyl-2-carboxylato-kappa^2^O:O')bis[bis(2'-carboxybiphenyl-2-carboxylato-kappaO)(1,10-phenanthroline-kappa^2^N,N')cobalt(II)]
CID 139066953
Bis(3-methylbenzoato-kappa^2^O,O')(phenanthroline-kappa^2^N,N')copper(II)
CID 139067105

Frequently Asked Questions

What is the IUPAC name of copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate?
The IUPAC name of copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate (CID 139078115) is copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate.
What is the SMILES notation for copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate?
The canonical SMILES for copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate is O.O=C([O-])C([O-])(c1ccccc1)c1ccccc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate?
The InChIKey is BCDFGZKEIRWILK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11O3.C12H8N2.Cu.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10H,(H,15,16);1-8H;;1H2/q-1;;+2;/p-1.
What are the key properties of copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate?
copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate has a molecular weight of 488.00 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-oxido-2,2-diphenylacetate;1,10-phenanthroline;hydrate is sourced from PubChem (CID 139078115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).