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4,4-di(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b]dithiophene

Catalog Number
ACM365547202
Product Name
4,4-di(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b]dithiophene
CAS
365547-20-2
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Molecular Weight
402.7g/mol
Molecular Formula
C25H38S2
Canonical SMILES
CCCCC(CC)CC1(C2=C(C3=C1C=CS3)SC=C2)CC(CC)CCCC
InChI
InChI=1S/C25H38S2/c1-5-9-11-19(7-3)17-25(18-20(8-4)12-10-6-2)21-13-15-26-23(21)24-22(25)14-16-27-24/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key
NUCIQEWGTLOQTR-UHFFFAOYSA-N
Complexity
394
Covalently-Bonded Unit Count
1
Exact Mass
402.241494g/mol
Formal Charge
0
Heavy Atom Count
27
Monoisotopic Mass
402.241494g/mol
Rotatable Bond Count
12
XLogP3
10.9
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