About dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)
dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) (PubChem CID 139128313) has the molecular formula C40H30Cl4Cu2N6O4
and a molecular weight of 927.62 g/mol. Its IUPAC name is dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate).
Molecular Properties
| Compound Name | dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) |
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| PubChem CID | 139128313 |
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| Molecular Formula | C40H30Cl4Cu2N6O4 |
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| Molecular Weight | 927.62 g/mol |
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| Exact Mass | 923.97 |
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| IUPAC Name | dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) |
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| SMILES | ClCCl.ClCCl.[Cu+2].[Cu+2].[O-]c1ccccc1/C=N\c1cccc(/N=C/c2ccccc2[O-])n1.[O-]c1ccccc1/C=N\c1cccc(/N=C/c2ccccc2[O-])n1 |
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| InChI | InChI=1S/2C19H15N3O2.2CH2Cl2.2Cu/c2*23-16-8-3-1-6-14(16)12-20-18-10-5-11-19(22-18)21-13-15-7-2-4-9-17(15)24;2*2-1-3;;/h2*1-13,23-24H;2*1H2;;/q;;;;2*+2/p-4/b2*20-12-,21-13+;;;; |
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| InChIKey | KIMOJDPUCOPXEL-RNYMABHFSA-J |
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| XLogP | 8.30 |
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| TPSA | 167.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 927.62 |
| LogP ≤ 5 | 8.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)?
The IUPAC name of dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) (CID 139128313) is dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate).
What is the SMILES notation for dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)?
The canonical SMILES for dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) is ClCCl.ClCCl.[Cu+2].[Cu+2].[O-]c1ccccc1/C=N\c1cccc(/N=C/c2ccccc2[O-])n1.[O-]c1ccccc1/C=N\c1cccc(/N=C/c2ccccc2[O-])n1.
What is the InChIKey of dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)?
The InChIKey is KIMOJDPUCOPXEL-RNYMABHFSA-J. The full InChI is InChI=1S/2C19H15N3O2.2CH2Cl2.2Cu/c2*23-16-8-3-1-6-14(16)12-20-18-10-5-11-19(22-18)21-13-15-7-2-4-9-17(15)24;2*2-1-3;;/h2*1-13,23-24H;2*1H2;;/q;;;;2*+2/p-4/b2*20-12-,21-13+;;;;.
What are the key properties of dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)?
dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) has a molecular weight of 927.62 g/mol, XLogP of 8.30, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate) is sourced from PubChem (CID 139128313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).