copper;bis(4-hydroxybenzoate);1,10-phenanthroline

C26H18CuN2O6 — CID 139067421

IUPACcopper;bis(4-hydroxybenzoate);1,10-phenanthroline
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C7H6O3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6-3-1-5(2-4-6)7(9)10;/h1-8H;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyFBZOMLMDDRNLDW-UHFFFAOYSA-L
MW517.98 g/mol
LogP2.29
Rot. Bonds2

About copper;bis(4-hydroxybenzoate);1,10-phenanthroline

copper;bis(4-hydroxybenzoate);1,10-phenanthroline (PubChem CID 139067421) has the molecular formula C26H18CuN2O6 and a molecular weight of 517.98 g/mol. Its IUPAC name is copper;bis(4-hydroxybenzoate);1,10-phenanthroline.

Molecular Properties

Compound Namecopper;bis(4-hydroxybenzoate);1,10-phenanthroline
PubChem CID139067421
Molecular FormulaC26H18CuN2O6
Molecular Weight517.98 g/mol
Exact Mass517.05
IUPAC Namecopper;bis(4-hydroxybenzoate);1,10-phenanthroline
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C7H6O3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6-3-1-5(2-4-6)7(9)10;/h1-8H;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyFBZOMLMDDRNLDW-UHFFFAOYSA-L
XLogP2.29
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.98
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57396761
3-(4-Hydroxyphenyl)-2-(1,10-phenanthrolin-2-ylmethylamino)propanoic acid
CID 44421883
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
(4-Hydroxyphenyl)-[9-[(3-methylphenyl)methyl]pyrido[3,4-b]indol-1-yl]methanone
CID 172439687
4,4'-(1,10-Phenanthroline-3,8-diyl)dibenzoic acid
CID 91392357
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798406
Tris(dibenzoylmethane)phenanthroline europium(III)
CID 156619803

Frequently Asked Questions

What is the IUPAC name of copper;bis(4-hydroxybenzoate);1,10-phenanthroline?
The IUPAC name of copper;bis(4-hydroxybenzoate);1,10-phenanthroline (CID 139067421) is copper;bis(4-hydroxybenzoate);1,10-phenanthroline.
What is the SMILES notation for copper;bis(4-hydroxybenzoate);1,10-phenanthroline?
The canonical SMILES for copper;bis(4-hydroxybenzoate);1,10-phenanthroline is O=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;bis(4-hydroxybenzoate);1,10-phenanthroline?
The InChIKey is FBZOMLMDDRNLDW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2C7H6O3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-6-3-1-5(2-4-6)7(9)10;/h1-8H;2*1-4,8H,(H,9,10);/q;;;+2/p-2.
What are the key properties of copper;bis(4-hydroxybenzoate);1,10-phenanthroline?
copper;bis(4-hydroxybenzoate);1,10-phenanthroline has a molecular weight of 517.98 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-hydroxybenzoate);1,10-phenanthroline is sourced from PubChem (CID 139067421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).