1,4-Dimethyl-9,10-bis(phenylethynyl)anthracene
Basic information
- CAS
53134-75-1- Standard SMILES
Cc1ccc(C)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12- InChIKey
ZTXOKOINVVTFSJ-UHFFFAOYSA-N- Molecular formula
- C32H22
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.1721507
Names & identifiers
- Preferred name
- 1,4-Dimethyl-9,10-bis(phenylethynyl)anthracene
- IUPAC
- 1,4-dimethyl-9,10-bis(2-phenylethynyl)anthracene
Names & synonyms
53134-75-1NSC338065SCHEMBL4285271,4-DIMETHYL-9,10-BIS(PHENYLETHYNYL)ANTHRACENESCHEMBL30459316DTXSID60318916NSC-338065
Database identifiers
- CAS
53134-75-1- PubChem CID
- 333922
- DTXSID
DTXSID60318916
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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