About phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene
phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene (PubChem CID 139266252) has the molecular formula C12H9Br3N2Te
and a molecular weight of 548.53 g/mol. Its IUPAC name is phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene.
Molecular Properties
| Compound Name | phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene |
| PubChem CID | 139266252 |
| Molecular Formula | C12H9Br3N2Te |
| Molecular Weight | 548.53 g/mol |
| Exact Mass | 547.74 |
| IUPAC Name | phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene |
| SMILES | Br[Te](Br)(Br)c1ccccc1/N=N/c1ccccc1 |
| InChI | InChI=1S/C12H9Br3N2Te/c13-18(14,15)12-9-5-4-8-11(12)17-16-10-6-2-1-3-7-10/h1-9H/b17-16+ |
| InChIKey | MLHDFONBOWXUJB-WUKNDPDISA-N |
| XLogP | 5.43 |
| TPSA | 24.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 548.53 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene?
The IUPAC name of phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene (CID 139266252) is phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene.
What is the SMILES notation for phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene?
The canonical SMILES for phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene is Br[Te](Br)(Br)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene?
The InChIKey is MLHDFONBOWXUJB-WUKNDPDISA-N. The full InChI is InChI=1S/C12H9Br3N2Te/c13-18(14,15)12-9-5-4-8-11(12)17-16-10-6-2-1-3-7-10/h1-9H/b17-16+.
What are the key properties of phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene?
phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene has a molecular weight of 548.53 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(tribromo-λ4-tellanyl)phenyl]diazene is sourced from PubChem (CID 139266252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).