5,8-dibromo-2,3-diphenylquinoxaline

C20H12Br2N2 — CID 22475901

IUPAC5,8-dibromo-2,3-diphenylquinoxaline
SMILESBrc1ccc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C20H12Br2N2/c21-15-11-12-16(22)20-19(15)23-17(13-7-3-1-4-8-13)18(24-20)14-9-5-2-6-10-14/h1-12H
InChIKeyLELMSURPXIAXOW-UHFFFAOYSA-N
MW440.14 g/mol
LogP6.49
Rot. Bonds2

About 5,8-dibromo-2,3-diphenylquinoxaline

5,8-dibromo-2,3-diphenylquinoxaline (PubChem CID 22475901) has the molecular formula C20H12Br2N2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 5,8-dibromo-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-diphenylquinoxaline
PubChem CID22475901
Molecular FormulaC20H12Br2N2
Molecular Weight440.14 g/mol
Exact Mass437.94
IUPAC Name5,8-dibromo-2,3-diphenylquinoxaline
SMILESBrc1ccc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C20H12Br2N2/c21-15-11-12-16(22)20-19(15)23-17(13-7-3-1-4-8-13)18(24-20)14-9-5-2-6-10-14/h1-12H
InChIKeyLELMSURPXIAXOW-UHFFFAOYSA-N
XLogP6.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.14
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2,3-diphenylquinoxaline?
The IUPAC name of 5,8-dibromo-2,3-diphenylquinoxaline (CID 22475901) is 5,8-dibromo-2,3-diphenylquinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-diphenylquinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-diphenylquinoxaline is Brc1ccc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 5,8-dibromo-2,3-diphenylquinoxaline?
The InChIKey is LELMSURPXIAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N2/c21-15-11-12-16(22)20-19(15)23-17(13-7-3-1-4-8-13)18(24-20)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 5,8-dibromo-2,3-diphenylquinoxaline?
5,8-dibromo-2,3-diphenylquinoxaline has a molecular weight of 440.14 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2,3-diphenylquinoxaline is sourced from PubChem (CID 22475901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).