1,4-Dithiin, 2,5-bis([1,1'-biphenyl]-4-yl)-
Basic information
- CAS
37989-52-9- Standard SMILES
C1=C(c2ccc(-c3ccccc3)cc2)SC=C(c2ccc(-c3ccccc3)cc2)S1- InChIKey
PVDMVQDSVILVJE-UHFFFAOYSA-N- Molecular formula
- C28H20S2
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.10064299
Names & identifiers
- Preferred name
- 1,4-Dithiin, 2,5-bis([1,1'-biphenyl]-4-yl)-
- IUPAC
- 2,5-bis(4-phenylphenyl)-1,4-dithiine
- English name
- 2,5-Bis(1,1'-biphenyl-4-yl)-1,4-dithiin
- Molecular weight
- 0
Names & synonyms
1,4-Dithiin, 2,5-bis([1,1'-biphenyl]-4-yl)-2,5-di([1,1'-biphenyl]-4-yl)-1,4-dithiine37989-52-9SCHEMBL11334766DTXSID30348301PVDMVQDSVILVJE-UHFFFAOYSA-N2,5-Di[1,1'-biphenyl]-4-yl-1,4-dithiine #2,5-Bis(1,1'-biphenyl-4-yl)-1,4-dithiin
Database identifiers
- CAS
37989-52-9- PubChem CID
- 634536
- DTXSID
DTXSID30348301- Nikkaji
- J141.986B
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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