Basic information
- CAS
23975-18-0- Standard SMILES
C(#Cc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1- InChIKey
YRTLXHUVJXZUIN-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Phenylethynylpyrene
- IUPAC
- 1-(2-phenylethynyl)pyrene
Names & synonyms
1-phenylethynylpyreneRefChem:9078101-(Phenylethynyl)pyrene23975-18-0SCHEMBL2036514SCHEMBL4288194DTXSID00711947
Database identifiers
- CAS
23975-18-0- PubChem CID
- 54523904
- DTXSID
DTXSID00711947- Nikkaji
- J2.146.243H
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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