1,6-dichlorophenazine

C12H6Cl2N2 — CID 619227

IUPAC1,6-dichlorophenazine
SMILESClc1cccc2nc3c(Cl)cccc3nc12
InChIInChI=1S/C12H6Cl2N2/c13-7-3-1-5-9-11(7)16-10-6-2-4-8(14)12(10)15-9/h1-6H
InChIKeyODSJIHKCGKVWTE-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.09
Rot. Bonds

About 1,6-dichlorophenazine

1,6-dichlorophenazine (PubChem CID 619227) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1,6-dichlorophenazine.

Molecular Properties

Compound Name1,6-dichlorophenazine
PubChem CID619227
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name1,6-dichlorophenazine
SMILESClc1cccc2nc3c(Cl)cccc3nc12
InChIInChI=1S/C12H6Cl2N2/c13-7-3-1-5-9-11(7)16-10-6-2-4-8(14)12(10)15-9/h1-6H
InChIKeyODSJIHKCGKVWTE-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 54.09
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 1,6-dichlorophenazine?
The IUPAC name of 1,6-dichlorophenazine (CID 619227) is 1,6-dichlorophenazine.
What is the SMILES notation for 1,6-dichlorophenazine?
The canonical SMILES for 1,6-dichlorophenazine is Clc1cccc2nc3c(Cl)cccc3nc12.
What is the InChIKey of 1,6-dichlorophenazine?
The InChIKey is ODSJIHKCGKVWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-7-3-1-5-9-11(7)16-10-6-2-4-8(14)12(10)15-9/h1-6H.
What are the key properties of 1,6-dichlorophenazine?
1,6-dichlorophenazine has a molecular weight of 249.10 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichlorophenazine is sourced from PubChem (CID 619227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).