Basic information
- CAS
674289-05-5- Standard SMILES
COc1c(C#Cc2ccccc2)c(OC)c(C#Cc2ccccc2)c(OC)c1C#Cc1ccccc1- InChIKey
NRSHTOBSUXLJTQ-UHFFFAOYSA-N- Molecular formula
- C33H24O3
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.17254462
Names & identifiers
- Preferred name
- 1,3,5-Trimethoxy-2,4,6-tris(phenylethynyl)benzene
- IUPAC
- 1,3,5-trimethoxy-2,4,6-tris(2-phenylethynyl)benzene
Names & synonyms
674289-05-51,3,5-Trimethoxy-2,4,6-tris(phenylethynyl)benzeneDTXSID207976021,1',1''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tri(ethyne-2,1-diyl)]tribenzene
Database identifiers
- CAS
674289-05-5- PubChem CID
- 71374841
- DTXSID
DTXSID20797602- Nikkaji
- J1.994.091H
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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