S-15
 
 O=C(N(C(CCCCCCC)CCCCCCC)C7=O)C2=CC=C(C4=CC=C6C5=C(C(N(C(CCCCCCC)CCCCCCC)C6=O)=O)C=CC3=C45)C1=C3C=CC7=C12

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. 129C, orange rosetts (high temperature modification as a red powder) with crystal transformation at 50-60. Rf (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): λmax (ε) = 458 nm (18670), 489 (51460), 525.5 (86040); (n-heptane): λmax (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/20C): 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.


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