About 1-(2-chlorophenyl)phenazine
1-(2-chlorophenyl)phenazine (PubChem CID 175026808) has the molecular formula C18H11ClN2
and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)phenazine.
Molecular Properties
| Compound Name | 1-(2-chlorophenyl)phenazine |
| PubChem CID | 175026808 |
| Molecular Formula | C18H11ClN2 |
| Molecular Weight | 290.75 g/mol |
| Exact Mass | 290.06 |
| IUPAC Name | 1-(2-chlorophenyl)phenazine |
| SMILES | Clc1ccccc1-c1cccc2nc3ccccc3nc12 |
| InChI | InChI=1S/C18H11ClN2/c19-14-8-2-1-6-12(14)13-7-5-11-17-18(13)21-16-10-4-3-9-15(16)20-17/h1-11H |
| InChIKey | RENGIAWBNJNTNT-UHFFFAOYSA-N |
| XLogP | 5.10 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 290.75 |
| LogP ≤ 5 | 5.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-chlorophenyl)phenazine?
The IUPAC name of 1-(2-chlorophenyl)phenazine (CID 175026808) is 1-(2-chlorophenyl)phenazine.
What is the SMILES notation for 1-(2-chlorophenyl)phenazine?
The canonical SMILES for 1-(2-chlorophenyl)phenazine is Clc1ccccc1-c1cccc2nc3ccccc3nc12.
What is the InChIKey of 1-(2-chlorophenyl)phenazine?
The InChIKey is RENGIAWBNJNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2/c19-14-8-2-1-6-12(14)13-7-5-11-17-18(13)21-16-10-4-3-9-15(16)20-17/h1-11H.
What are the key properties of 1-(2-chlorophenyl)phenazine?
1-(2-chlorophenyl)phenazine has a molecular weight of 290.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)phenazine is sourced from PubChem (CID 175026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).