2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline

C18H7Br3N2 — CID 58185761

IUPAC2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cc2c3c(cc(Br)cc3c1)-c1nc3cc(Br)ccc3nc1-2
InChIInChI=1S/C18H7Br3N2/c19-9-1-2-14-15(7-9)23-18-13-6-11(21)4-8-3-10(20)5-12(16(8)13)17(18)22-14/h1-7H
InChIKeyXYXUSQZAIUHALV-UHFFFAOYSA-N
MW490.98 g/mol
LogP6.72
Rot. Bonds

About 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline

2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 58185761) has the molecular formula C18H7Br3N2 and a molecular weight of 490.98 g/mol. Its IUPAC name is 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID58185761
Molecular FormulaC18H7Br3N2
Molecular Weight490.98 g/mol
Exact Mass487.82
IUPAC Name2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cc2c3c(cc(Br)cc3c1)-c1nc3cc(Br)ccc3nc1-2
InChIInChI=1S/C18H7Br3N2/c19-9-1-2-14-15(7-9)23-18-13-6-11(21)4-8-3-10(20)5-12(16(8)13)17(18)22-14/h1-7H
InChIKeyXYXUSQZAIUHALV-UHFFFAOYSA-N
XLogP6.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.98
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline (CID 58185761) is 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline is Brc1cc2c3c(cc(Br)cc3c1)-c1nc3cc(Br)ccc3nc1-2.
What is the InChIKey of 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is XYXUSQZAIUHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Br3N2/c19-9-1-2-14-15(7-9)23-18-13-6-11(21)4-8-3-10(20)5-12(16(8)13)17(18)22-14/h1-7H.
What are the key properties of 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline?
2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 490.98 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-tribromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 58185761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).