4-(3-Bromophenyl)-6-phenyldibenzo[b,d]thiophene
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Basic information
- CAS
1616092-81-9- Standard SMILES
Brc1cccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c1- InChIKey
AVZVXDJOIHZUOI-UHFFFAOYSA-N- Molecular formula
- C24H15BrS
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.00778
Names & identifiers
- Preferred name
- 4-(3-Bromophenyl)-6-phenyldibenzo[b,d]thiophene
- IUPAC
- 4-(3-bromophenyl)-6-phenyldibenzothiophene
- English name
- 4-(3-bromophenyl)-6-phenyl-dibenzothiophene
- Molecular formula
- C24H15BrS
- Molecular weight
- 415.34
Names & synonyms
1616092-81-94-(3-Bromophenyl)-6-phenyldibenzo[b,d]thiophene4-(3-bromophenyl)-6-phenyldibenzothiopheneSCHEMBL14739335AVZVXDJOIHZUOI-UHFFFAOYSA-NCS-04374814-(3-bromophenyl)-6-phenyl-dibenzothiopheneDibenzothiophene, 4-(3-bromophenyl)-6-phenyl-
Database identifiers
- CAS
1616092-81-9- PubChem CID
- 71280935
Properties
Computed structural propertiesFilling in
- XLogP
- 8.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 586.2 · 586.2±35.0 °C(Predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C24H15BrS/c25-18-10-4-9-17(15-18)20-12-6-14-22-21-13-5-11-19(23(21)26-24(20)22)16-7-2-1-3-8-16/h1-15H
- InChIKey
- AVZVXDJOIHZUOI-UHFFFAOYSA-N
- SMILES
- C12=C(C3=CC=CC(Br)=C3)C=CC=C1C1=CC=CC(C3=CC=CC=C3)=C1S2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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