1,3,5-tribromoacenaphthylene

C12H5Br3 — CID 20569463

IUPAC1,3,5-tribromoacenaphthylene
SMILESBrC1=Cc2c(Br)cc(Br)c3cccc1c23
InChIInChI=1S/C12H5Br3/c13-9-4-8-11(15)5-10(14)7-3-1-2-6(9)12(7)8/h1-5H
InChIKeyAGRWTNGSIVHIKF-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.57
Rot. Bonds

About 1,3,5-tribromoacenaphthylene

1,3,5-tribromoacenaphthylene (PubChem CID 20569463) has the molecular formula C12H5Br3 and a molecular weight of 388.88 g/mol. Its IUPAC name is 1,3,5-tribromoacenaphthylene.

Molecular Properties

Compound Name1,3,5-tribromoacenaphthylene
PubChem CID20569463
Molecular FormulaC12H5Br3
Molecular Weight388.88 g/mol
Exact Mass385.79
IUPAC Name1,3,5-tribromoacenaphthylene
SMILESBrC1=Cc2c(Br)cc(Br)c3cccc1c23
InChIInChI=1S/C12H5Br3/c13-9-4-8-11(15)5-10(14)7-3-1-2-6(9)12(7)8/h1-5H
InChIKeyAGRWTNGSIVHIKF-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-tribromoacenaphthylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromoacenaphthylene?
The IUPAC name of 1,3,5-tribromoacenaphthylene (CID 20569463) is 1,3,5-tribromoacenaphthylene.
What is the SMILES notation for 1,3,5-tribromoacenaphthylene?
The canonical SMILES for 1,3,5-tribromoacenaphthylene is BrC1=Cc2c(Br)cc(Br)c3cccc1c23.
What is the InChIKey of 1,3,5-tribromoacenaphthylene?
The InChIKey is AGRWTNGSIVHIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br3/c13-9-4-8-11(15)5-10(14)7-3-1-2-6(9)12(7)8/h1-5H.
What are the key properties of 1,3,5-tribromoacenaphthylene?
1,3,5-tribromoacenaphthylene has a molecular weight of 388.88 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromoacenaphthylene is sourced from PubChem (CID 20569463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).