1,3,8-trichlorophenazine

C12H5Cl3N2 — CID 154716543

IUPAC1,3,8-trichlorophenazine
SMILESClc1ccc2nc3cc(Cl)cc(Cl)c3nc2c1
InChIInChI=1S/C12H5Cl3N2/c13-6-1-2-9-10(4-6)17-12-8(15)3-7(14)5-11(12)16-9/h1-5H
InChIKeyPSWNSXGINXAFJK-UHFFFAOYSA-N
MW283.55 g/mol
LogP4.74
Rot. Bonds

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 Name1,3,8-trichlorophenazine
PubChem CID154716543
Molecular FormulaC12H5Cl3N2
Molecular Weight283.55 g/mol
Exact Mass281.95
IUPAC Name1,3,8-trichlorophenazine
SMILESClc1ccc2nc3cc(Cl)cc(Cl)c3nc2c1
InChIInChI=1S/C12H5Cl3N2/c13-6-1-2-9-10(4-6)17-12-8(15)3-7(14)5-11(12)16-9/h1-5H
InChIKeyPSWNSXGINXAFJK-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3,8-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).