copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)

C40H43CuN4O6- — CID 54716167

IUPACcopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)
SMILESCc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.Cc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu]
InChIInChI=1S/2C17H18N2.C6H7O6.Cu/c2*1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*6-8H,1-5H3;2,5,8-10H,1H2;/q;;-1;
InChIKeyJEESGLDUHCVCMP-UHFFFAOYSA-N
MW739.35 g/mol
LogP6.61
Rot. Bonds2

About copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)

copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline) (PubChem CID 54716167) has the molecular formula C40H43CuN4O6- and a molecular weight of 739.35 g/mol. Its IUPAC name is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline).

Molecular Properties

Compound Namecopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)
PubChem CID54716167
Molecular FormulaC40H43CuN4O6-
Molecular Weight739.35 g/mol
Exact Mass738.25
IUPAC Namecopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)
SMILESCc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.Cc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu]
InChIInChI=1S/2C17H18N2.C6H7O6.Cu/c2*1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*6-8H,1-5H3;2,5,8-10H,1H2;/q;;-1;
InChIKeyJEESGLDUHCVCMP-UHFFFAOYSA-N
XLogP6.61
TPSA161.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.35
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-4-phenyl-1,10-phenanthroline)
CID 54716158
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(N-(2,9-dimethyl-1,10-phenanthrolin-5-yl)acetamide)
CID 54716160
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-1,10-phenanthrolin-5-amine)
CID 54716161
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8,9-hexamethyl-1,10-phenanthroline)
CID 54716162
bis(2-amino-N-(2,9-dimethyl-1,10-phenanthrolin-5-yl)acetamide);copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate
CID 54716163
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)
CID 54716164
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-1,10-phenanthroline)
CID 54716165
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-phenyl-1,10-phenanthroline)
CID 54716166
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 54716168
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)
CID 54716169
copper;bis(1,10-phenanthroline);(2R)-propane-1,2-diol;selenate
CID 139050963

Frequently Asked Questions

What is the IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)?
The IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline) (CID 54716167) is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline).
What is the SMILES notation for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)?
The canonical SMILES for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline) is Cc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.Cc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu].
What is the InChIKey of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)?
The InChIKey is JEESGLDUHCVCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N2.C6H7O6.Cu/c2*1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*6-8H,1-5H3;2,5,8-10H,1H2;/q;;-1;.
What are the key properties of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline)?
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline) has a molecular weight of 739.35 g/mol, XLogP of 6.61, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,3,4,7,8-pentamethyl-1,10-phenanthroline) is sourced from PubChem (CID 54716167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).