2,3-bis(4-bromophenyl)quinoxaline

C20H12Br2N2 — CID 554977

IUPAC2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H12Br2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyWATVCMJLZPTSSS-UHFFFAOYSA-N
MW440.14 g/mol
LogP6.49
Rot. Bonds2

About 2,3-bis(4-bromophenyl)quinoxaline

2,3-bis(4-bromophenyl)quinoxaline (PubChem CID 554977) has the molecular formula C20H12Br2N2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)quinoxaline
PubChem CID554977
Molecular FormulaC20H12Br2N2
Molecular Weight440.14 g/mol
Exact Mass437.94
IUPAC Name2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H12Br2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyWATVCMJLZPTSSS-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 2,3-bis(4-bromophenyl)quinoxaline?
The IUPAC name of 2,3-bis(4-bromophenyl)quinoxaline (CID 554977) is 2,3-bis(4-bromophenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-bromophenyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-bromophenyl)quinoxaline is Brc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)quinoxaline?
The InChIKey is WATVCMJLZPTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H.
What are the key properties of 2,3-bis(4-bromophenyl)quinoxaline?
2,3-bis(4-bromophenyl)quinoxaline 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 2,3-bis(4-bromophenyl)quinoxaline is sourced from PubChem (CID 554977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).