2,5-DIOCTYL-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE

CAS No.
1093468-95-1
CCD No.
CCD05231201
Formula
C58 H72 N2 O2 S6
MolWeight
1021.61

Basic Information

Product Name: 2,5-DIOCTYL-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE
CAS: 1093468-95-1
English Synonyms: SMDPPO ; 2,5-DIOCTYL-3,6-BIS-(5''-N-HEXYL-[2,2',5',2'']TERTHIOPHEN-5-YL)-PYRROLO[3,4-C]PYRROLE-1,4-DIONE
MDL Number.: MFCD20036284
H bond acceptor: 4
H bond donor: 0
Smile: CCCCCCCCN1C(=C2C(=C(N(C2=O)CCCCCCCC)c3ccc(s3)c4ccc(s4)c5ccc(s5)CCCCCC)C1=O)c6ccc(s6)c7ccc(s7)c8ccc(s8)CCCCCC
InChi: InChI=1S/C58H72N2O2S6/c1-5-9-13-17-19-23-39-59-55(51-37-35-49(67-51)47-33-31-45(65-47)43-29-27-41(63-43)25-21-15-11-7-3)53-54(57(59)61)56(60(58(53)62)40-24-20-18-14-10-6-2)52-38-36-50(68-52)48-34-32-46(66-48)44-30-28-42(64-44)26-22-16-12-8-4/h27-38H,5-26,39-40H2,1-4H3
InChiKey: InChIKey=CAOPCPKFKCIXFB-UHFFFAOYSA-N

Property

Melting Point: 242-247 DEG C
Comments: LOSS: 0.5 WT%, 307 DEG C
UV ABSORPTION: 644 NM IN METHYLENE CHLORIDE
WGK: 3

Safety information

WGK Germany: 3

* If the product has intellectual property rights, a license granted is must or contact us.