About dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)
dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139177740) has the molecular formula C40H34Cu2N6O6
and a molecular weight of 821.84 g/mol. Its IUPAC name is dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine).
Molecular Properties
| Compound Name | dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) |
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| PubChem CID | 139177740 |
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| Molecular Formula | C40H34Cu2N6O6 |
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| Molecular Weight | 821.84 g/mol |
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| Exact Mass | 820.11 |
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| IUPAC Name | dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) |
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| SMILES | COc1ccc(/C=N/N=C(\[O-])c2ccccc2)c([O-])c1.COc1ccc(/C=N/N=C(\[O-])c2ccccc2)c([O-])c1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1 |
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| InChI | InChI=1S/2C15H14N2O3.2C5H5N.2Cu/c2*1-20-13-8-7-12(14(18)9-13)10-16-17-15(19)11-5-3-2-4-6-11;2*1-2-4-6-5-3-1;;/h2*2-10,18H,1H3,(H,17,19);2*1-5H;;/q;;;;2*+2/p-4/b2*16-10+;;;; |
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| InChIKey | PMQJEBKLYXPVIW-JHZPFQORSA-J |
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| XLogP | 3.98 |
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| TPSA | 185.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 821.84 |
| LogP ≤ 5 | 3.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'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 dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139177740) is dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) is COc1ccc(/C=N/N=C(\[O-])c2ccccc2)c([O-])c1.COc1ccc(/C=N/N=C(\[O-])c2ccccc2)c([O-])c1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is PMQJEBKLYXPVIW-JHZPFQORSA-J. The full InChI is InChI=1S/2C15H14N2O3.2C5H5N.2Cu/c2*1-20-13-8-7-12(14(18)9-13)10-16-17-15(19)11-5-3-2-4-6-11;2*1-2-4-6-5-3-1;;/h2*2-10,18H,1H3,(H,17,19);2*1-5H;;/q;;;;2*+2/p-4/b2*16-10+;;;;.
What are the key properties of dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine)?
dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 821.84 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139177740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).