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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Related Compounds

methyl 5-bromo-2-(3-phenylquinoxalin-2-yl)benzoate
CID 132502729
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 175102190
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
CID 164943703
CID 164943703
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
CID 134238107
8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 152936992
2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline
CID 170567818
2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474

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).