copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)

C42H44CuN2O8 — CID 139068807

IUPACcopper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)
SMILESCCO.CCO.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=C([O-])C(O)(c1ccccc1)c1ccccc1.[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12O3.2C5H5N.2C2H6O.Cu/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-2-3;/h2*1-10,17H,(H,15,16);2*1-5H;2*3H,2H2,1H3;/q;;;;;;+2/p-2
InChIKeyPDYARHYBPCGTGE-UHFFFAOYSA-L
MW768.37 g/mol
LogP3.50
Rot. Bonds6

About copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)

copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) (PubChem CID 139068807) has the molecular formula C42H44CuN2O8 and a molecular weight of 768.37 g/mol. Its IUPAC name is copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine).

Molecular Properties

Compound Namecopper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)
PubChem CID139068807
Molecular FormulaC42H44CuN2O8
Molecular Weight768.37 g/mol
Exact Mass767.24
IUPAC Namecopper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)
SMILESCCO.CCO.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=C([O-])C(O)(c1ccccc1)c1ccccc1.[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12O3.2C5H5N.2C2H6O.Cu/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-2-3;/h2*1-10,17H,(H,15,16);2*1-5H;2*3H,2H2,1H3;/q;;;;;;+2/p-2
InChIKeyPDYARHYBPCGTGE-UHFFFAOYSA-L
XLogP3.50
TPSA186.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500768.37
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate
CID 134956352
bis(2-benzoylbenzoato)bis(2-pyridilpropanol)copper(II)
CID 139041704
bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol
CID 139051351
bis((2S)-1,1-bis(4-tert-butylphenyl)propane-1,2-diol);3-methylpyridine
CID 139054360
Bis(2-(2-carboxyphenyl)benzoate);hydron;4-pyridin-4-ylpyridine
CID 139066039
Bis(9-hydroxyfluorene-9-carboxylato-kappa^2^O,O')bis(3-hydroxypyridine-kappaN)copper(II) methanol disolvate
CID 139068568
2-Methylpyridinium benzylate
CID 139073154
4,4'-Bipyridyl-4,4'-(hydroxymethylene)dibenzoic acid (1/1)
CID 139083310
(Z)-2-[(S)-[dimethyl(phenyl)phosphaniumyl]-phenylmethyl]-3-methoxy-3-oxo-1-pyridin-4-ylprop-1-en-1-olate;(Z)-2-[(R)-[dimethyl(phenyl)phosphaniumyl]-phenylmethyl]-3-methoxy-3-oxo-1-pyridin-4-ylprop-1-en-1-olate;dihydrate
CID 139117820
[Fe2(m-O2CAr)2(O2CAr)2(py)2]
CID 139120686
tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)
CID 139122932
Bis(diphenyl(pyridin-4-yl)methanol);palladium(2+);diacetate
CID 139129249

Frequently Asked Questions

What is the IUPAC name of copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)?
The IUPAC name of copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) (CID 139068807) is copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine).
What is the SMILES notation for copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)?
The canonical SMILES for copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) is CCO.CCO.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=C([O-])C(O)(c1ccccc1)c1ccccc1.[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)?
The InChIKey is PDYARHYBPCGTGE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12O3.2C5H5N.2C2H6O.Cu/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-2-3;/h2*1-10,17H,(H,15,16);2*1-5H;2*3H,2H2,1H3;/q;;;;;;+2/p-2.
What are the key properties of copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine)?
copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) has a molecular weight of 768.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethanol;bis(2-hydroxy-2,2-diphenylacetate);bis(pyridine) is sourced from PubChem (CID 139068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).