About dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine
dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine (PubChem CID 20701725) has the molecular formula C26H34Cl2FeN2SSi2
and a molecular weight of 589.56 g/mol. Its IUPAC name is dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine.
Molecular Properties
| Compound Name | dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine |
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| PubChem CID | 20701725 |
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| Molecular Formula | C26H34Cl2FeN2SSi2 |
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| Molecular Weight | 589.56 g/mol |
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| Exact Mass | 588.07 |
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| IUPAC Name | dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine |
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| SMILES | C/C(=N\c1ccc([Si](C)(C)C)cc1)c1ccc(/C(C)=N/c2ccc([Si](C)(C)C)cc2)s1.Cl[Fe]Cl |
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| InChI | InChI=1S/C26H34N2SSi2.2ClH.Fe/c1-19(27-21-9-13-23(14-10-21)30(3,4)5)25-17-18-26(29-25)20(2)28-22-11-15-24(16-12-22)31(6,7)8;;;/h9-18H,1-8H3;2*1H;/q;;;+2/p-2/b27-19+,28-20+;;; |
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| InChIKey | CAWLIZQNFRTUHQ-WUFGQBQZSA-L |
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| XLogP | 8.50 |
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| TPSA | 24.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 589.56 |
| LogP ≤ 5 | 8.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine?
The IUPAC name of dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine (CID 20701725) is dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine.
What is the SMILES notation for dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine?
The canonical SMILES for dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine is C/C(=N\c1ccc([Si](C)(C)C)cc1)c1ccc(/C(C)=N/c2ccc([Si](C)(C)C)cc2)s1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine?
The InChIKey is CAWLIZQNFRTUHQ-WUFGQBQZSA-L. The full InChI is InChI=1S/C26H34N2SSi2.2ClH.Fe/c1-19(27-21-9-13-23(14-10-21)30(3,4)5)25-17-18-26(29-25)20(2)28-22-11-15-24(16-12-22)31(6,7)8;;;/h9-18H,1-8H3;2*1H;/q;;;+2/p-2/b27-19+,28-20+;;;.
What are the key properties of dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine?
dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine has a molecular weight of 589.56 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-[5-[C-methyl-N-(4-trimethylsilylphenyl)carbonimidoyl]thiophen-2-yl]-N-(4-trimethylsilylphenyl)ethanimine is sourced from PubChem (CID 20701725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).