About [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane
[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane (PubChem CID 158212927) has the molecular formula C30H45CuN4O3
and a molecular weight of 573.26 g/mol. Its IUPAC name is [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane.
Molecular Properties
| Compound Name | [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane |
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| PubChem CID | 158212927 |
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| Molecular Formula | C30H45CuN4O3 |
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| Molecular Weight | 573.26 g/mol |
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| Exact Mass | 572.28 |
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| IUPAC Name | [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane |
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| SMILES | CC.CC.CC.CC.CC.O=C(O)c1ccccc1/N=N/C(=N[N-]c1ccccc1O)c1ccccc1.[Cu+] |
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| InChI | InChI=1S/C20H16N4O3.5C2H6.Cu/c25-18-13-7-6-12-17(18)22-24-19(14-8-2-1-3-9-14)23-21-16-11-5-4-10-15(16)20(26)27;5*1-2;/h1-13H,(H3,21,22,23,24,25,26,27);5*1-2H3;/q;;;;;;+1/p-1 |
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| InChIKey | NNMKSRGJDJPROA-UHFFFAOYSA-M |
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| XLogP | 10.37 |
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| TPSA | 108.71 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 573.26 |
| LogP ≤ 5 | 10.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane?
The IUPAC name of [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane (CID 158212927) is [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane.
What is the SMILES notation for [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane?
The canonical SMILES for [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane is CC.CC.CC.CC.CC.O=C(O)c1ccccc1/N=N/C(=N[N-]c1ccccc1O)c1ccccc1.[Cu+].
What is the InChIKey of [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane?
The InChIKey is NNMKSRGJDJPROA-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N4O3.5C2H6.Cu/c25-18-13-7-6-12-17(18)22-24-19(14-8-2-1-3-9-14)23-21-16-11-5-4-10-15(16)20(26)27;5*1-2;/h1-13H,(H3,21,22,23,24,25,26,27);5*1-2H3;/q;;;;;;+1/p-1.
What are the key properties of [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane?
[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane has a molecular weight of 573.26 g/mol, XLogP of 10.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane is sourced from PubChem (CID 158212927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).