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CAS 95689-92-2

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2,9-Ditridecylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone

Description:
2,9-Ditridecylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, with CAS number 95689-92-2, is a complex organic compound characterized by its polycyclic structure, which includes multiple fused aromatic rings. This compound features a tetrone functional group, indicating the presence of four carbonyl groups within its structure, contributing to its potential reactivity and stability. The presence of long alkyl chains, specifically the ditridecyl substituents, enhances its solubility in non-polar solvents and may influence its physical properties, such as melting point and boiling point. The intricate arrangement of its molecular framework suggests potential applications in materials science, particularly in organic electronics or as a dye, due to its likely ability to absorb light and exhibit interesting electronic properties. Additionally, the compound's structural complexity may lead to unique interactions in biological systems, warranting further investigation into its potential biological activity or toxicity. Overall, this substance exemplifies the diverse chemistry of polycyclic compounds and their potential utility in various fields.
Formula:C50H62N2O4
InChI:InChI=1S/C50H62N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
InChI key:InChIKey=XCAZCFDCJHGAIT-UHFFFAOYSA-N
SMILES:O=C1C=2C3=C4C(C=5C=6C(C4=CC2)=CC=C7C6C(=CC5)C(=O)N(CCCCCCCCCCCCC)C7=O)=CC=C3C(=O)N1CCCCCCCCCCCCC
Synonyms:
  • 2,9-Ditridecylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
  • 2,9-ditridecylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
  • Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-ditridecyl-
  • Lt-S9042
  • N,N'-Ditridecyl-3,4,9,10-perylenedicarboximide
  • N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide
  • N,N′-Ditridecyl-3,4,9,10-perylenetetracarboxylic diimide
  • Ptcdi-C 13
  • Ptcdi-C13H27
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