S-15
  

N,N'-Bis(1-heptyloctyl)-3,4:9,10-perylenebis(dicarboximide); 2,9-bis-(1-heptyloctyl)anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone; 2,9-bis-(8-pentadecyl)anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone, RN 130296-47-8:
M.p. 129°C, orange rosetts (high temperature modification as a red powder) with crystal transformation at 50-60°. R_f (silica gel/CHCl₃) = 0.85. IR (KBr): ν = 2955 cm^-1 s, 2925 s, 2855 s, 1699 s, 1660 s, 1594 s, 1579 m, 1508 w, 1483 w, 1467 m, 1458 m, 1435 m, 1406 s, 1378 w, 1352 m, 1338 s, 1255 m, 1209 w, 1174 m, 1125 w, 1108 w, 964 w, 865 w, 856 w, 851 m, 825 w, 809 m, 796 w, 747 m, 724 w. UV (CHCl₃): λ_max (ε) = 458 nm (18670), 489 (51460), 525.5 (86040); (n-heptane): λ_max (ε) = 448.5 nm (20940), 479 (55230), 514.5 (93540). Fluorescence (CHCl₃): λ = 534 nm, 576; (n-heptane): (CHCl₃): λ = 518 nm, 558. Solid state fluorescence (orange modification): (CHCl₃): λ = 587 nm, 625; solid state fluorescence (red modification): (CHCl₃): λ = 642 nm. ¹H NMR (CDCl₃/TMS): δ = 0.83 (m, 12 H), 1.25 (m ,40 H), 2.00 (m, 8 H), 5.18 (m, 2 H), 8.50 (m, 8 H). ¹³C NMR (CDCl₃/TMS): δ 129.43, 131.25, 134.25, 163.84. MS (70 eV): m/z (%) = 812 (18), 811 (58), 810 (100) [M⁺], 794 (5), 793 (8), 602 (16), 601 (40), 600 (41), 403 (5), 393 (5), 392 (21), 391 (57), 390 (75), 373 (8). Solubility (n-heptane/20°C): 0.59 g/100 mL. C₅₄H₇₀N₂O₄(811.2) calcd. C 79.96, H 8.70, N 3.45; orange modification found: C 80.32 H 8.63 N 3.38.

References, RN 130296-47-8:

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