3-bromofluoranthene

C16H9Br — CID 13221800

IUPAC3-bromofluoranthene
SMILESBrc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKeyWCXFCLXZMIFHBU-UHFFFAOYSA-N
MW281.15 g/mol
LogP5.25
Rot. Bonds

About 3-bromofluoranthene

3-bromofluoranthene (PubChem CID 13221800) has the molecular formula C16H9Br and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-bromofluoranthene.

Molecular Properties

Compound Name3-bromofluoranthene
PubChem CID13221800
Molecular FormulaC16H9Br
Molecular Weight281.15 g/mol
Exact Mass279.99
IUPAC Name3-bromofluoranthene
SMILESBrc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKeyWCXFCLXZMIFHBU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.15
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-bromofluoranthene with MolForge

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

Launch Full Analysis

Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
2-Bromo-9H-fluorene
CID 14336
5-Bromoacenaphthene
CID 74923
2,7-Dibromofluorene
CID 140073
1-Bromo-4-methylnaphthalene
CID 81112
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898

Frequently Asked Questions

What is the IUPAC name of 3-bromofluoranthene?
The IUPAC name of 3-bromofluoranthene (CID 13221800) is 3-bromofluoranthene.
What is the SMILES notation for 3-bromofluoranthene?
The canonical SMILES for 3-bromofluoranthene is Brc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-bromofluoranthene?
The InChIKey is WCXFCLXZMIFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H.
What are the key properties of 3-bromofluoranthene?
3-bromofluoranthene has a molecular weight of 281.15 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromofluoranthene is sourced from PubChem (CID 13221800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).