3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-butyloctyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

CAS Registry Number®

1224709-68-5
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CAS Name

3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-butyloctyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

Molecular Formula

C38H54Br2N2O2S2

Molecular Mass

794.79

Cite this Page

3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-butyloctyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1224709-68-5 (retrieved 2024-08-11) (CAS RN: 1224709-68-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151.2-153.7 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H54Br2N2O2S2/c1-5-9-13-15-19-27(17-11-7-3)25-41-35(29-21-23-31(39)45-29)33-34(37(41)43)36(30-22-24-32(40)46-30)42(38(33)44)26-28(18-12-8-4)20-16-14-10-6-2/h21-24,27-28H,5-20,25-26H2,1-4H3

InChIKey

InChIKey=JLJXFNQGQGQPQC-UHFFFAOYSA-N

SMILES

O=C1C=2C(=C(N1CC(CCCCCC)CCCC)C3=CC=C(Br)S3)C(=O)N(CC(CCCCCC)CCCC)C2C4=CC=C(Br)S4

Canonical SMILES

O=C1C=2C(C(=O)N(C2C=3SC(Br)=CC3)CC(CCCC)CCCCCC)=C(C=4SC(Br)=CC4)N1CC(CCCC)CCCCCC

Other Names for this Substance

  • Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromo-2-thienyl)-2,5-bis(2-butyloctyl)-2,5-dihydro-
  • 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-butyloctyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
  • 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-butyloctyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione