About CID 139263229
CID 139263229 (PubChem CID 139263229) has the molecular formula C24H18Cu3Fe2+
and a molecular weight of 608.74 g/mol.
Molecular Properties
| Compound Name | CID 139263229 |
|---|
| PubChem CID | 139263229 |
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| Molecular Formula | C24H18Cu3Fe2+ |
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| Molecular Weight | 608.74 g/mol |
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| Exact Mass | 606.80 |
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| IUPAC Name | — |
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| SMILES | [C-]#Cc1cc[cH-]c1.[C-]#Cc1cc[cH-]c1.[CH]1[CH][CH][CH-][CH]1.[Cu+].[Cu+].[Cu+].[Fe+2].[Fe+2].c1cc[cH-]c1 |
|---|
| InChI | InChI=1S/2C7H4.2C5H5.3Cu.2Fe/c2*1-2-7-5-3-4-6-7;2*1-2-4-5-3-1;;;;;/h2*3-6H;2*1-5H;;;;;/q2*-2;2*-1;3*+1;2*+2 |
|---|
| InChIKey | DMPGDQDMADJQAB-UHFFFAOYSA-N |
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| XLogP | 5.10 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 608.74 |
| LogP ≤ 5 | 5.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 139263229?
The IUPAC name of CID 139263229 (CID 139263229) is not available.
What is the SMILES notation for CID 139263229?
The canonical SMILES for CID 139263229 is [C-]#Cc1cc[cH-]c1.[C-]#Cc1cc[cH-]c1.[CH]1[CH][CH][CH-][CH]1.[Cu+].[Cu+].[Cu+].[Fe+2].[Fe+2].c1cc[cH-]c1.
What is the InChIKey of CID 139263229?
The InChIKey is DMPGDQDMADJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H4.2C5H5.3Cu.2Fe/c2*1-2-7-5-3-4-6-7;2*1-2-4-5-3-1;;;;;/h2*3-6H;2*1-5H;;;;;/q2*-2;2*-1;3*+1;2*+2.
What are the key properties of CID 139263229?
CID 139263229 has a molecular weight of 608.74 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139263229 is sourced from PubChem (CID 139263229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).