1,5-Dimethyl-2,3,4,6,7-pentakis-phenyltricyclo[3.2.1.02,4]oct-6-en-8-one
Basic information
- CAS
39934-05-9- Standard SMILES
CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1(c3ccccc3)C(c3ccccc3)C21c1ccccc1- InChIKey
SJWSZMOCBJRHLE-UHFFFAOYSA-N- Molecular formula
- C40H32O
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.24531564
Names & identifiers
- Preferred name
- 1,5-Dimethyl-2,3,4,6,7-pentakis-phenyltricyclo[3.2.1.02,4]oct-6-en-8-one
- IUPAC
- 1,5-dimethyl-2,3,4,6,7-pentakis-phenyltricyclo[3.2.1.02,4]oct-6-en-8-one
Names & synonyms
NSC24745139934-05-9DTXSID10330345NSC-2474511,5-Dimethyl-2,3,4,6,7-pentaphenyltricyclo[3.2.1.0~2,4~]oct-6-en-8-one
Database identifiers
- CAS
39934-05-9- PubChem CID
- 429084
- DTXSID
DTXSID10330345
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 967
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Compound notes
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