5,5'-Bis[(thiophen-2-yl)ethynyl]-2,2'-bipyridine
Basic information
- CAS
927894-61-9- Standard SMILES
C(#Cc1cccs1)c1ccc(-c2ccc(C#Cc3cccs3)cn2)nc1- InChIKey
HKYRSPYHUVWLKX-UHFFFAOYSA-N- Molecular formula
- C22H12N2S2
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.04419074
Names & identifiers
- Preferred name
- 5,5'-Bis[(thiophen-2-yl)ethynyl]-2,2'-bipyridine
- IUPAC
- 5-(2-thiophen-2-ylethynyl)-2-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]pyridine
Names & synonyms
927894-61-95,5'-Bis[(thiophen-2-yl)ethynyl]-2,2'-bipyridineDTXSID50853801
Database identifiers
- CAS
927894-61-9- PubChem CID
- 71445232
- DTXSID
DTXSID50853801
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 553
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Compound notes
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