2,2'-(Pentacene-2,9-diyl)bis(4-hexylthiophene)
Basic information
- CAS
874217-21-7- Standard SMILES
CCCCCCc1csc(-c2ccc3cc4cc5cc6cc(-c7cc(CCCCCC)cs7)ccc6cc5cc4cc3c2)c1- InChIKey
FHFJBECFQATDBP-UHFFFAOYSA-N- Molecular formula
- C42H42S2
- Average molar mass
- 610.9 g/mol
- Monoisotopic mass
- 610.27279369
Names & identifiers
- Preferred name
- 2,2'-(Pentacene-2,9-diyl)bis(4-hexylthiophene)
- IUPAC
- 4-hexyl-2-[9-(4-hexylthiophen-2-yl)pentacen-2-yl]thiophene
Names & synonyms
2,2'-(Pentacene-2,9-diyl)bis(4-hexylthiophene)874217-21-7DTXSID70832411
Database identifiers
- CAS
874217-21-7- PubChem CID
- 71412876
- DTXSID
DTXSID70832411
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 800
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Compound notes
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