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2,5-Bis(2-ethylhexyl)-3,6-di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, >98.0%(HPLC)

Catalog NumberACM1185885862

CAS Number1185885-86-2

CategoryOrganic Light-Emitting Diode (OLED) Materials

2,5-Bis(2-ethylhexyl)-3,6-di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, >98.0%(HPLC)
IUPAC Name
2,5-bis(2-ethylhexyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
Molecular Weight
524.8g/mol
Molecular Formula
C30H40N2O2S2
Canonical SMILES
CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=CS3)C1=O)C4=CC=CS4
InChI
InChI=1S/C30H40N2O2S2/c1-5-9-13-21(7-3)19-31-27(23-15-11-17-35-23)25-26(29(31)33)28(24-16-12-18-36-24)32(30(25)34)20-22(8-4)14-10-6-2/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
InChI Key
BTJNHAWTSFHBBN-UHFFFAOYSA-N
Complexity
797
Covalently-Bonded Unit Count
1
Exact Mass
524.253121g/mol
Formal Charge
0
Heavy Atom Count
36
Monoisotopic Mass
524.253121g/mol
Rotatable Bond Count
14
XLogP3
7.9
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