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

C23H20CuN4O2 — CID 59971375

IUPACcopper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
SMILESCc1ccc([C-]=O)c(/N=N/C(=N\[N-]c2cc(C)cc(C)c2O)c2ccccc2)c1.[Cu+2]
InChIInChI=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
InChIKeyRDIMUXQIVSKEJG-UHFFFAOYSA-N
MW447.99 g/mol
LogP5.92
Rot. Bonds5

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 Namecopper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
PubChem CID59971375
Molecular FormulaC23H20CuN4O2
Molecular Weight447.99 g/mol
Exact Mass447.09
IUPAC Namecopper (2-hydroxy-3,5-dimethylphenyl)-[(Z)-[[[5-methyl-2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
SMILESCc1ccc([C-]=O)c(/N=N/C(=N\[N-]c2cc(C)cc(C)c2O)c2ccccc2)c1.[Cu+2]
InChIInChI=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
InChIKeyRDIMUXQIVSKEJG-UHFFFAOYSA-N
XLogP5.92
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.99
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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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).