| CAS Number | 153561-79-6 |
| Catalog Number | AG00IMG5(AGN-PC-0O4DJ4) |
| Chemical Name | 2,2':5',2'':5'',2'''-Quaterthiophene, 5,5'''-didodecyl- |
| IUPAC Name | 2-dodecyl-5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene |
| InChI | InChI=1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-27-35(41-33)37-29-31-39(43-37)40-32-30-38(44-40)36-28-26-34(42-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3 |
| InChI Key | OWLUEDGBXMVFNL-UHFFFAOYSA-N |
| MDL Number | MFCD30475652 |
| Molecular Formula | C40H58S4 |
| Molecular Weight | 667.1485 |
| SMILES | CCCCCCCCCCCCC1=CC=C(S1)C1=CC=C(S1)C1=CC=C(S1)C1=CC=C(CCCCCCCCCCCC)S1 |
| Synonyms | 5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene,
153561-79-6,
D4889,
2,2'-Bi[5-(5-dodecyl-2-thienyl)thiophene],
|
| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 666.342g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 667.144g/mol |
| Monoisotopic Mass | 666.342g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 17.9 |
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