copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine

C35H25CuN3O6 — CID 139168095

IUPACcopper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3.2C7H6O3.Cu/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*8-6-3-1-5(2-4-6)7(9)10;/h1-15H;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyVMVIEDMQBATRND-UHFFFAOYSA-L
MW647.15 g/mol
LogP4.38
Rot. Bonds5

About copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine

copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine (PubChem CID 139168095) has the molecular formula C35H25CuN3O6 and a molecular weight of 647.15 g/mol. Its IUPAC name is copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Namecopper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
PubChem CID139168095
Molecular FormulaC35H25CuN3O6
Molecular Weight647.15 g/mol
Exact Mass646.10
IUPAC Namecopper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3.2C7H6O3.Cu/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*8-6-3-1-5(2-4-6)7(9)10;/h1-15H;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyVMVIEDMQBATRND-UHFFFAOYSA-L
XLogP4.38
TPSA159.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
CID 139040813
(2,2'-Bipyridyl-kappa^2^N,N')bis(salicylato-kappa^2^O,O')zinc(II)
CID 139059392
Dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
CID 139066999
Bis(4-hydroxybenzoato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')copper(II)
CID 139067421
Bis(2,2'-bipyridine-kappa^2^N,N')bis(4-hydroxybenzoato-kappaO)manganese(II)
CID 139069373
Bis(2,2'-bipyridyl-kappa^2^N,N')bis(2-hydroxybenzoato)-kappaO^1^;kappa^2^O^1^,O^1'^-cadmium(II) methanol solvate
CID 139078259
Bis(4-hydroxybenzoato-kappa^2^O,O')bis(pyridine-kappaN)copper(II)
CID 139081488
Bis(2,2'-bipyridine-kappa^2^N,N')(3-methylbenzoato-kappa^2^O,O')zinc 3-methylbenzoate-3-methylbenzoic acid-water (1/1/2)
CID 139084629
1:1 Co-crystal of 4HBA + BPEE
CID 139144828
Bis(4-hydroxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
CID 139144830
Copper;4-phenyl-2,6-dipyridin-2-ylpyridine;dibenzoate
CID 139168094
Copper;bis(3-hydroxybenzoate);methanol;4-phenyl-2,6-dipyridin-2-ylpyridine
CID 139168096

Frequently Asked Questions

What is the IUPAC name of copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine?
The IUPAC name of copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine (CID 139168095) is copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine is O=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine?
The InChIKey is VMVIEDMQBATRND-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H15N3.2C7H6O3.Cu/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*8-6-3-1-5(2-4-6)7(9)10;/h1-15H;2*1-4,8H,(H,9,10);/q;;;+2/p-2.
What are the key properties of copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine?
copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine has a molecular weight of 647.15 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 139168095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).