Basic information
- Standard SMILES
OB(O)c1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1- InChIKey
XYTJBFVTIVKXLD-UHFFFAOYSA-N- Molecular formula
- C24H17BO2
- Average molar mass
- 348.2 g/mol
- Monoisotopic mass
- 348.1321599
Names & identifiers
- Preferred name
- 2-(9-Phenanthrenyl)naphthalene-6-boronic acid
- IUPAC
- (6-phenanthren-9-ylnaphthalen-2-yl)boronic acid
Names & synonyms
1096686-57-5(6-(Phenanthren-9-yl)naphthalen-2-yl)boronic acidB-[6-(9-Phenanthrenyl)-2-naphthalenyl]boronic acidSCHEMBL1094143SCHEMBL31376292XYTJBFVTIVKXLD-UHFFFAOYSA-NDB-4158192-(9-phenanthrenyl)naphthalene-6-boronic acidB-[6-(9-phenanthrenyl)-2-naphthalenyl]-boronic acid2-PNBA; (9-(naphthalen-2-yl)-9H-carbazol-3-yl)boronic acid
Database identifiers
- PubChem CID
- 57539809
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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