copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)

C30H20CuN6O2 — CID 146014520

IUPACcopper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)
SMILES[Cu+2].[O-]c1ccc2ccccc2c1/N=N/c1ccccn1.[O-]c1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/2C15H11N3O.Cu/c2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;/h2*1-10,19H;/q;;+2/p-2/b2*18-17+;
InChIKeyQXTRZYUSTICKKH-IVYOCVIQSA-L
MW560.08 g/mol
LogP7.45
Rot. Bonds4

About copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)

copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate) (PubChem CID 146014520) has the molecular formula C30H20CuN6O2 and a molecular weight of 560.08 g/mol. Its IUPAC name is copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate).

Molecular Properties

Compound Namecopper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)
PubChem CID146014520
Molecular FormulaC30H20CuN6O2
Molecular Weight560.08 g/mol
Exact Mass559.09
IUPAC Namecopper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)
SMILES[Cu+2].[O-]c1ccc2ccccc2c1/N=N/c1ccccn1.[O-]c1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/2C15H11N3O.Cu/c2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;/h2*1-10,19H;/q;;+2/p-2/b2*18-17+;
InChIKeyQXTRZYUSTICKKH-IVYOCVIQSA-L
XLogP7.45
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.08
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Copper PAN
CID 135884961
Copper(II)bis[1-(2-pyridylazo)naphthalene-2-olate]
CID 101973286
Bis{mu-1-[(2-oxidophenyl)iminomethyl]-2-naphtholato}bis[pyridinecopper(II)]
CID 139078158
2,4-Ditert-butyl-6-phenylazanidylphenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);toluene;perchlorate
CID 139127174
2,4-Ditert-butyl-6-phenylazanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135938
2,4-Ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135941
Manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140410
Nickel(2+);oxolane;bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140411
Bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);molybdenum;bis(oxygen(2-))
CID 139142974
Chromium(2+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate)
CID 139142975
Chromium(3+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);triiodide
CID 139142976
Cobalt(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 168339004

Frequently Asked Questions

What is the IUPAC name of copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)?
The IUPAC name of copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate) (CID 146014520) is copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate).
What is the SMILES notation for copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)?
The canonical SMILES for copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate) is [Cu+2].[O-]c1ccc2ccccc2c1/N=N/c1ccccn1.[O-]c1ccc2ccccc2c1/N=N/c1ccccn1.
What is the InChIKey of copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)?
The InChIKey is QXTRZYUSTICKKH-IVYOCVIQSA-L. The full InChI is InChI=1S/2C15H11N3O.Cu/c2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;/h2*1-10,19H;/q;;+2/p-2/b2*18-17+;.
What are the key properties of copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate)?
copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate) has a molecular weight of 560.08 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(1-(pyridin-2-yldiazenyl)naphthalen-2-olate) is sourced from PubChem (CID 146014520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).