1,3,8-Trichlorophenazine

C₁₂H₅Cl₃N₂ — CID 154716543

About 1,3,8-Trichlorophenazine

1,3,8-Trichlorophenazine (PubChem CID 154716543) has the molecular formula C₁₂H₅Cl₃N₂ and a molecular weight of 283.55 g/mol. Its IUPAC name is 1,3,8-trichlorophenazine.

Molecular Properties

• Compound Name: 1,3,8-Trichlorophenazine
• PubChem CID: 154716543
• Molecular Formula: C₁₂H₅Cl₃N₂
• Molecular Weight: 283.55 g/mol
• Exact Mass: 281.95
• IUPAC Name: 1,3,8-trichlorophenazine
• SMILES: Clc1ccc2nc3cc(Cl)cc(Cl)c3nc2c1
• InChI: InChI=1S/C12H5Cl3N2/c13-6-1-2-9-10(4-6)17-12-8(15)3-7(14)5-11(12)16-9/h1-5H
• InChIKey: PSWNSXGINXAFJK-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.55
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,8-Trichlorophenazine?

The IUPAC name of 1,3,8-Trichlorophenazine (CID 154716543) is 1,3,8-trichlorophenazine.

What is the SMILES notation for 1,3,8-Trichlorophenazine?

The canonical SMILES for 1,3,8-Trichlorophenazine is Clc1ccc2nc3cc(Cl)cc(Cl)c3nc2c1.

What is the InChIKey of 1,3,8-Trichlorophenazine?

The InChIKey is PSWNSXGINXAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2/c13-6-1-2-9-10(4-6)17-12-8(15)3-7(14)5-11(12)16-9/h1-5H.

What are the key properties of 1,3,8-Trichlorophenazine?

1,3,8-Trichlorophenazine has a molecular weight of 283.55 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,8-Trichlorophenazine is sourced from PubChem (CID 154716543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154716543 — identifiers, structure, computed properties (public domain)

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