Basic information
- CAS
605-05-0- Standard SMILES
c1ccc(Cc2cc3ccccc3c3ccccc23)cc1- InChIKey
UVJRAORIEHWRRK-UHFFFAOYSA-N- Molecular formula
- C21H16
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.12520051
Names & identifiers
- Preferred name
- 9-Benzylphenanthrene
- IUPAC
- 9-benzylphenanthrene
Names & synonyms
9-Benzylphenanthrene605-05-0NSC1465829-(phenylmethyl)phenanthrene9-Benzylphenanthrene, 97%SCHEMBL7912427UVJRAORIEHWRRK-UHFFFAOYSA-DTXSID20975903UVJRAORIEHWRRK-UHFFFAOYSA-NNSC-146582H54403B120933
Show more names
InChI=1/C21H16/c1-2-8-16(9-3-1)14-18-15-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-13,15H,14H2
Database identifiers
- CAS
605-05-0- PubChem CID
- 287166
- DTXSID
DTXSID20975903- Nikkaji
- J151.001K
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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