1,4-dibromophenazine

C12H6Br2N2 — CID 121006625

IUPAC1,4-dibromophenazine
SMILESBrc1ccc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C12H6Br2N2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H
InChIKeyGMKZJHPEQUFMEO-UHFFFAOYSA-N
MW338.00 g/mol
LogP4.31
Rot. Bonds

About 1,4-dibromophenazine

1,4-dibromophenazine (PubChem CID 121006625) has the molecular formula C12H6Br2N2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 1,4-dibromophenazine.

Molecular Properties

Compound Name1,4-dibromophenazine
PubChem CID121006625
Molecular FormulaC12H6Br2N2
Molecular Weight338.00 g/mol
Exact Mass335.89
IUPAC Name1,4-dibromophenazine
SMILESBrc1ccc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C12H6Br2N2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H
InChIKeyGMKZJHPEQUFMEO-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 54.31
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 1,4-dibromophenazine?
The IUPAC name of 1,4-dibromophenazine (CID 121006625) is 1,4-dibromophenazine.
What is the SMILES notation for 1,4-dibromophenazine?
The canonical SMILES for 1,4-dibromophenazine is Brc1ccc(Br)c2nc3ccccc3nc12.
What is the InChIKey of 1,4-dibromophenazine?
The InChIKey is GMKZJHPEQUFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2/c13-7-5-6-8(14)12-11(7)15-9-3-1-2-4-10(9)16-12/h1-6H.
What are the key properties of 1,4-dibromophenazine?
1,4-dibromophenazine has a molecular weight of 338.00 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromophenazine is sourced from PubChem (CID 121006625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).