2-(2,5-dibromophenyl)-3-phenylquinoxaline

C20H12Br2N2 — CID 101356816

IUPAC2-(2,5-dibromophenyl)-3-phenylquinoxaline
SMILESBrc1ccc(Br)c(-c2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C20H12Br2N2/c21-14-10-11-16(22)15(12-14)20-19(13-6-2-1-3-7-13)23-17-8-4-5-9-18(17)24-20/h1-12H
InChIKeyAACVLALKISJSJF-UHFFFAOYSA-N
MW440.14 g/mol
LogP6.49
Rot. Bonds2

About 2-(2,5-dibromophenyl)-3-phenylquinoxaline

2-(2,5-dibromophenyl)-3-phenylquinoxaline (PubChem CID 101356816) has the molecular formula C20H12Br2N2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-3-phenylquinoxaline
PubChem CID101356816
Molecular FormulaC20H12Br2N2
Molecular Weight440.14 g/mol
Exact Mass437.94
IUPAC Name2-(2,5-dibromophenyl)-3-phenylquinoxaline
SMILESBrc1ccc(Br)c(-c2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C20H12Br2N2/c21-14-10-11-16(22)15(12-14)20-19(13-6-2-1-3-7-13)23-17-8-4-5-9-18(17)24-20/h1-12H
InChIKeyAACVLALKISJSJF-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 2-(2,5-dibromophenyl)-3-phenylquinoxaline?
The IUPAC name of 2-(2,5-dibromophenyl)-3-phenylquinoxaline (CID 101356816) is 2-(2,5-dibromophenyl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(2,5-dibromophenyl)-3-phenylquinoxaline?
The canonical SMILES for 2-(2,5-dibromophenyl)-3-phenylquinoxaline is Brc1ccc(Br)c(-c2nc3ccccc3nc2-c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dibromophenyl)-3-phenylquinoxaline?
The InChIKey is AACVLALKISJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N2/c21-14-10-11-16(22)15(12-14)20-19(13-6-2-1-3-7-13)23-17-8-4-5-9-18(17)24-20/h1-12H.
What are the key properties of 2-(2,5-dibromophenyl)-3-phenylquinoxaline?
2-(2,5-dibromophenyl)-3-phenylquinoxaline 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 2-(2,5-dibromophenyl)-3-phenylquinoxaline is sourced from PubChem (CID 101356816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).