copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate

C38H35CuN5O10 — CID 139041406

IUPACcopper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H12O3.2C12H8N2.Cu.NO3.4H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2-1(3)4;;;;/h1-10,17H,(H,15,16);2*1-8H;;;4*1H2/q;;;+2;-1;;;;/p-1
InChIKeyGGRJQDNWSNORTM-UHFFFAOYSA-M
MW785.27 g/mol
LogP2.70
Rot. Bonds3

About copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate

copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate (PubChem CID 139041406) has the molecular formula C38H35CuN5O10 and a molecular weight of 785.27 g/mol. Its IUPAC name is copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate.

Molecular Properties

Compound Namecopper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate
PubChem CID139041406
Molecular FormulaC38H35CuN5O10
Molecular Weight785.27 g/mol
Exact Mass784.17
IUPAC Namecopper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H12O3.2C12H8N2.Cu.NO3.4H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2-1(3)4;;;;/h1-10,17H,(H,15,16);2*1-8H;;;4*1H2/q;;;+2;-1;;;;/p-1
InChIKeyGGRJQDNWSNORTM-UHFFFAOYSA-M
XLogP2.70
TPSA304.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500785.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 158217641
Cobalt(II) phenanthroline-benzoate
CID 129865376
copper;(2R)-2-[(1S)-1,2-dicarboxyethyl]butanedioate;bis(1,10-phenanthroline);pentahydrate
CID 139044159
Bis(1,10-phenanthroline-kappa^2^N,N')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate
CID 139048094
Dicopper;bis(9-oxidofluorene-9-carboxylate);bis(1,10-phenanthroline);dihydrate
CID 139053577
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772
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(4-carboxybenzenesulfonato)bis(1,10-phenanthroline)manganese(II)
CID 139067649
Di-mu-hydroxo-bis[aqua(1,10-phenanthroline-kappa^2^N,N')copper(II)] terephthalate octahydrate
CID 139067860
tris(1,10-phenanthroline)zinc(II) nitrate bis(glutaric acid) dihydrate
CID 139068681

Frequently Asked Questions

What is the IUPAC name of copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate?
The IUPAC name of copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate (CID 139041406) is copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate.
What is the SMILES notation for copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate?
The canonical SMILES for copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate is O.O.O.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate?
The InChIKey is GGRJQDNWSNORTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O3.2C12H8N2.Cu.NO3.4H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2-1(3)4;;;;/h1-10,17H,(H,15,16);2*1-8H;;;4*1H2/q;;;+2;-1;;;;/p-1.
What are the key properties of copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate?
copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate has a molecular weight of 785.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-hydroxy-2,2-diphenylacetate;bis(1,10-phenanthroline);nitrate;tetrahydrate is sourced from PubChem (CID 139041406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).