Basic information
- Standard SMILES
Cc1ccc(-c2cc(Br)c3ccc4c(-c5ccc(C)c6ccccc56)cc(-c5ccc(C)c6ccccc56)c5ccc2c3c45)c2ccccc12- InChIKey
OBDRDGYTDUUJSU-UHFFFAOYSA-N- Molecular formula
- C49H33Br
- Average molar mass
- 701.7 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3,6,8-tri(4-methylnaphthalene-1-yl)pyrene
- IUPAC
- 1-bromo-3,6,8-tris(4-methylnaphthalen-1-yl)pyrene
Names & synonyms
SCHEMBL2083837OBDRDGYTDUUJSU-UHFFFAOYSA-N1-bromo-3,6,8-tri(4-methylnaphthalene-1-yl)pyrene
Database identifiers
- PubChem CID
- 86628593
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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