1,3,5-Tris[2-(4-methoxyphenyl)ethynyl]benzene
Basic information
- CAS
118688-57-6- Standard SMILES
COc1ccc(C#Cc2cc(C#Cc3ccc(OC)cc3)cc(C#Cc3ccc(OC)cc3)c2)cc1- InChIKey
YWHGJGMJAYOZLI-UHFFFAOYSA-N- Molecular formula
- C33H24O3
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.17254462
Names & identifiers
- Preferred name
- 1,3,5-Tris[2-(4-methoxyphenyl)ethynyl]benzene
- IUPAC
- 1,3,5-tris[2-(4-methoxyphenyl)ethynyl]benzene
Names & synonyms
SCHEMBL21903457DTXSID2012544841,3,5-Tris[2-(4-methoxyphenyl)ethynyl]benzene1,1',1''-[Benzene-1,3,5-triyltri(ethyne-2,1-diyl)]tris(4-methoxybenzene)118688-57-6
Database identifiers
- CAS
118688-57-6- PubChem CID
- 85579146
- DTXSID
DTXSID201254484
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
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Compound notes
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