copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)

C38H28CuN6O2 — CID 139172748

IUPACcopper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/2C19H15N3O.Cu/c2*23-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)22-21-17-7-2-1-3-8-17;/h2*1-14,23H;/q;;+2/p-2/b2*20-14+,22-21+;
InChIKeyPKNQIOGAARMWND-PPAOKHEJSA-L
MW664.23 g/mol
LogP9.85
Rot. Bonds8

About copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)

copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate) (PubChem CID 139172748) has the molecular formula C38H28CuN6O2 and a molecular weight of 664.23 g/mol. Its IUPAC name is copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecopper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
PubChem CID139172748
Molecular FormulaC38H28CuN6O2
Molecular Weight664.23 g/mol
Exact Mass663.16
IUPAC Namecopper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/2C19H15N3O.Cu/c2*23-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)22-21-17-7-2-1-3-8-17;/h2*1-14,23H;/q;;+2/p-2/b2*20-14+,22-21+;
InChIKeyPKNQIOGAARMWND-PPAOKHEJSA-L
XLogP9.85
TPSA120.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.23
LogP ≤ 59.85
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
CID 6711571
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
CID 136776452
palladium(2+);bis(2-phenyldiazenylphenolate)
CID 171041085
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538

Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)?
The IUPAC name of copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate) (CID 139172748) is copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate).
What is the SMILES notation for copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)?
The canonical SMILES for copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate) is [Cu+2].[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.[O-]c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)?
The InChIKey is PKNQIOGAARMWND-PPAOKHEJSA-L. The full InChI is InChI=1S/2C19H15N3O.Cu/c2*23-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)22-21-17-7-2-1-3-8-17;/h2*1-14,23H;/q;;+2/p-2/b2*20-14+,22-21+;.
What are the key properties of copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)?
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate) has a molecular weight of 664.23 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate) is sourced from PubChem (CID 139172748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).