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

CAS Registry Number®

95689-92-2
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CAS Name

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

Molecular Formula

C50H62N2O4

Molecular Mass

755.04

Cite this Page

2,9-Ditridecylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=95689-92-2 (retrieved 2024-04-28) (CAS RN: 95689-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

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

Canonical SMILES

O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1CCCCCCCCCCCCC)=C2C37)C4=C56)CCCCCCCCCCCCC

Other Names for this Substance

  • Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-ditridecyl-
  • 2,9-Ditridecylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
  • N,N′-Ditridecyl-3,4,9,10-perylenetetracarboxylic diimide
  • PTCDI-C 13

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