1,8-Bis[(4-tert-butylphenyl)sulfanyl]-9-(prop-1-en-2-yl)anthracene
Basic information
- CAS
41134-79-6- Standard SMILES
C=C(C)c1c2c(Sc3ccc(C(C)(C)C)cc3)cccc2cc2cccc(Sc3ccc(C(C)(C)C)cc3)c12- InChIKey
SSMUCJNYGIXNMN-UHFFFAOYSA-N- Molecular formula
- C37H38S2
- Average molar mass
- 546.8 g/mol
- Monoisotopic mass
- 546.24149356
Names & identifiers
- Preferred name
- 1,8-Bis[(4-tert-butylphenyl)sulfanyl]-9-(prop-1-en-2-yl)anthracene
- IUPAC
- 1,8-bis[(4-tert-butylphenyl)sulfanyl]-9-prop-1-en-2-ylanthracene
Names & synonyms
41134-79-6NSC156515DTXSID703297701,8-Bis[(4-tert-butylphenyl)sulfanyl]-9-(prop-1-en-2-yl)anthraceneNSC-156515
Database identifiers
- CAS
41134-79-6- PubChem CID
- 423685
- DTXSID
DTXSID70329770
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 740
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Compound notes
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