3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

CAS Registry Number®

1000623-98-2
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CAS Name

3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Molecular Formula

C46H70Br2N2O2S2

Molecular Mass

907.00

Cite this Page

3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000623-98-2 (retrieved 2024-08-27) (CAS RN: 1000623-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114.5-116.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C46H70Br2N2O2S2/c1-5-9-13-17-19-23-27-35(25-21-15-11-7-3)33-49-43(37-29-31-39(47)53-37)41-42(45(49)51)44(38-30-32-40(48)54-38)50(46(41)52)34-36(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-32,35-36H,5-28,33-34H2,1-4H3

InChIKey

InChIKey=MNALLGNMYJQSHP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

2914137-28-1