copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide

C23H20CuN4O2 — CID 59971375

About copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide

copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide (PubChem CID 59971375) has the molecular formula C23H20CuN4O2 and a molecular weight of 447.99 g/mol. Its IUPAC name is copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide.

Molecular Properties

• Compound Name: copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
• PubChem CID: 59971375
• Molecular Formula: C23H20CuN4O2
• Molecular Weight: 447.99 g/mol
• Exact Mass: 447.09
• IUPAC Name: copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
• SMILES: Cc1ccc([C-]=O)c(/N=N/C(=N\[N-]c2cc(C)cc(C)c2O)c2ccccc2)c1.[Cu+2]
• InChI: InChI=1S/C23H20N4O2.Cu/c1-15-9-10-19(14-28)20(12-15)24-26-23(18-7-5-4-6-8-18)27-25-21-13-16(2)11-17(3)22(21)29;/h4-13H,1-3H3,(H-,24,25,26,27,28,29);/q-2;+2
• InChIKey: RDIMUXQIVSKEJG-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.99
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?

The IUPAC name of copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide (CID 59971375) is copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide.

What is the SMILES notation for copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?

The canonical SMILES for copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide is Cc1ccc([C-]=O)c(/N=N/C(=N\[N-]c2cc(C)cc(C)c2O)c2ccccc2)c1.[Cu+2].

What is the InChIKey of copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?

The InChIKey is RDIMUXQIVSKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.Cu/c1-15-9-10-19(14-28)20(12-15)24-26-23(18-7-5-4-6-8-18)27-25-21-13-16(2)11-17(3)22(21)29;/h4-13H,1-3H3,(H-,24,25,26,27,28,29);/q-2;+2.

What are the key properties of copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide?

copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide has a molecular weight of 447.99 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for copper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide is sourced from PubChem (CID 59971375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).