3-[1,1′-Biphenyl]-4-yl-2,5-dihydro-6-[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione

CAS Registry Number®

960522-89-8

CAS Name

3-[1,1′-Biphenyl]-4-yl-2,5-dihydro-6-[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione

Molecular Formula

C42H52N2O2S

Molecular Mass

648.94

Cite this Page

3-[1,1′-Biphenyl]-4-yl-2,5-dihydro-6-[4-(octadecylthio)phenyl]pyrrolo[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=960522-89-8 (retrieved 2025-01-03) (CAS RN: 960522-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H52N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-47-36-29-27-35(28-30-36)40-38-37(41(45)44-40)39(43-42(38)46)34-25-23-33(24-26-34)32-21-18-17-19-22-32/h17-19,21-30H,2-16,20,31H2,1H3,(H,43,46)(H,44,45)

InChIKey

InChIKey=NYJLYPLYQOSAOY-UHFFFAOYSA-N

SMILES

O=C1C=2C(=C(N1)C3=CC=C(SCCCCCCCCCCCCCCCCCC)C=C3)C(=O)NC2C4=CC=C(C=C4)C5=CC=CC=C5

Canonical SMILES

O=C1NC(C=2C=CC(SCCCCCCCCCCCCCCCCCC)=CC2)=C3C(=O)NC(C=4C=CC(=CC4)C=5C=CC=CC5)=C13

Other Names for this Substance

  • Pyrrolo[3,4-c]pyrrole-1,4-dione, 3-[1,1′-biphenyl]-4-yl-2,5-dihydro-6-[4-(octadecylthio)phenyl]-
  • 3-[1,1′-Biphenyl]-4-yl-2,5-dihydro-6-[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione

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