copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide

C24H22CuN4O2 — CID 59878999

IUPACcopper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide
SMILESCc1ccc([N-]/N=C(\N=N\c2cc(C)cc(C)c2[C-]=O)c2ccccc2C)c(O)c1.[Cu+2]
InChIInChI=1S/C24H22N4O2.Cu/c1-15-9-10-21(23(30)13-15)25-27-24(19-8-6-5-7-17(19)3)28-26-22-12-16(2)11-18(4)20(22)14-29;/h5-13H,1-4H3,(H-,25,26,27,28,29,30);/q-2;+2
InChIKeyMFCMGZPYFAZLET-UHFFFAOYSA-N
MW462.01 g/mol
LogP6.23
Rot. Bonds5

About copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide

copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide (PubChem CID 59878999) has the molecular formula C24H22CuN4O2 and a molecular weight of 462.01 g/mol. Its IUPAC name is copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide.

Molecular Properties

Compound Namecopper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide
PubChem CID59878999
Molecular FormulaC24H22CuN4O2
Molecular Weight462.01 g/mol
Exact Mass461.10
IUPAC Namecopper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide
SMILESCc1ccc([N-]/N=C(\N=N\c2cc(C)cc(C)c2[C-]=O)c2ccccc2C)c(O)c1.[Cu+2]
InChIInChI=1S/C24H22N4O2.Cu/c1-15-9-10-21(23(30)13-15)25-27-24(19-8-6-5-7-17(19)3)28-26-22-12-16(2)11-18(4)20(22)14-29;/h5-13H,1-4H3,(H-,25,26,27,28,29,30);/q-2;+2
InChIKeyMFCMGZPYFAZLET-UHFFFAOYSA-N
XLogP6.23
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.01
LogP ≤ 56.23
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 [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide?
The IUPAC name of copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide (CID 59878999) is copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide.
What is the SMILES notation for copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide?
The canonical SMILES for copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide is Cc1ccc([N-]/N=C(\N=N\c2cc(C)cc(C)c2[C-]=O)c2ccccc2C)c(O)c1.[Cu+2].
What is the InChIKey of copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide?
The InChIKey is MFCMGZPYFAZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2.Cu/c1-15-9-10-21(23(30)13-15)25-27-24(19-8-6-5-7-17(19)3)28-26-22-12-16(2)11-18(4)20(22)14-29;/h5-13H,1-4H3,(H-,25,26,27,28,29,30);/q-2;+2.
What are the key properties of copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide?
copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide has a molecular weight of 462.01 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper [(Z)-[[[3,5-dimethyl-2-(oxomethyl)phenyl]diazenyl]-(2-methylphenyl)methylidene]amino]-(2-hydroxy-4-methylphenyl)azanide is sourced from PubChem (CID 59878999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).