8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline

C18H7Br3N2 — CID 67274043

IUPAC8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cc2nc3c(nc2c(Br)c1Br)-c1cccc2cccc-3c12
InChIInChI=1S/C18H7Br3N2/c19-11-7-12-18(15(21)14(11)20)23-17-10-6-2-4-8-3-1-5-9(13(8)10)16(17)22-12/h1-7H
InChIKeySWGUHIHQHPODRC-UHFFFAOYSA-N
MW490.98 g/mol
LogP6.72
Rot. Bonds

About 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline

8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 67274043) has the molecular formula C18H7Br3N2 and a molecular weight of 490.98 g/mol. Its IUPAC name is 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID67274043
Molecular FormulaC18H7Br3N2
Molecular Weight490.98 g/mol
Exact Mass487.82
IUPAC Name8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cc2nc3c(nc2c(Br)c1Br)-c1cccc2cccc-3c12
InChIInChI=1S/C18H7Br3N2/c19-11-7-12-18(15(21)14(11)20)23-17-10-6-2-4-8-3-1-5-9(13(8)10)16(17)22-12/h1-7H
InChIKeySWGUHIHQHPODRC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline (CID 67274043) is 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline is Brc1cc2nc3c(nc2c(Br)c1Br)-c1cccc2cccc-3c12.
What is the InChIKey of 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is SWGUHIHQHPODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Br3N2/c19-11-7-12-18(15(21)14(11)20)23-17-10-6-2-4-8-3-1-5-9(13(8)10)16(17)22-12/h1-7H.
What are the key properties of 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline?
8,9,10-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 8,9,10-tribromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 67274043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).