2-bromo-8-fluoranthen-3-yldibenzofuran

C28H15BrO — CID 129100178

IUPAC2-bromo-8-fluoranthen-3-yldibenzofuran
SMILESBrc1ccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c2c1
InChIInChI=1S/C28H15BrO/c29-17-9-13-27-25(15-17)24-14-16(8-12-26(24)30-27)18-10-11-23-20-5-2-1-4-19(20)22-7-3-6-21(18)28(22)23/h1-15H
InChIKeyWTXUOVKXZDISQN-UHFFFAOYSA-N
MW447.33 g/mol
LogP8.82
Rot. Bonds1

About 2-bromo-8-fluoranthen-3-yldibenzofuran

2-bromo-8-fluoranthen-3-yldibenzofuran (PubChem CID 129100178) has the molecular formula C28H15BrO and a molecular weight of 447.33 g/mol. Its IUPAC name is 2-bromo-8-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name2-bromo-8-fluoranthen-3-yldibenzofuran
PubChem CID129100178
Molecular FormulaC28H15BrO
Molecular Weight447.33 g/mol
Exact Mass446.03
IUPAC Name2-bromo-8-fluoranthen-3-yldibenzofuran
SMILESBrc1ccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c2c1
InChIInChI=1S/C28H15BrO/c29-17-9-13-27-25(15-17)24-14-16(8-12-26(24)30-27)18-10-11-23-20-5-2-1-4-19(20)22-7-3-6-21(18)28(22)23/h1-15H
InChIKeyWTXUOVKXZDISQN-UHFFFAOYSA-N
XLogP8.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-8-fluoranthen-3-yldibenzofuran 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

2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
CID 159150176
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)dibenzofuran
CID 177297853
6-fluoranthen-3-yl-2-phenanthren-3-yldibenzofuran
CID 129100164
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-fluoranthen-3-yldibenzofuran?
The IUPAC name of 2-bromo-8-fluoranthen-3-yldibenzofuran (CID 129100178) is 2-bromo-8-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 2-bromo-8-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 2-bromo-8-fluoranthen-3-yldibenzofuran is Brc1ccc2oc3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c2c1.
What is the InChIKey of 2-bromo-8-fluoranthen-3-yldibenzofuran?
The InChIKey is WTXUOVKXZDISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15BrO/c29-17-9-13-27-25(15-17)24-14-16(8-12-26(24)30-27)18-10-11-23-20-5-2-1-4-19(20)22-7-3-6-21(18)28(22)23/h1-15H.
What are the key properties of 2-bromo-8-fluoranthen-3-yldibenzofuran?
2-bromo-8-fluoranthen-3-yldibenzofuran has a molecular weight of 447.33 g/mol, XLogP of 8.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).