Marvin 03180912242D 48 56 0 0 0 0 999 V2000 -0.4714 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -1.7090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 1.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -2.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 -3.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -2.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 2.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 2.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7582 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1872 -3.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -3.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -2.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -0.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 0.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 5 1 0 0 0 0 1 6 2 0 0 0 0 8 1 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 6 9 1 0 0 0 0 6 5 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 3 2 2 0 0 0 0 14 2 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 3 1 0 0 0 0 3 4 1 0 0 0 0 20 4 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 23 18 1 0 0 0 0 18 17 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 13 25 1 0 0 0 0 9 13 1 0 0 0 0 10 9 2 0 0 0 0 24 10 1 0 0 0 0 24 26 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 33 28 2 0 0 0 0 29 28 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 35 27 2 0 0 0 0 27 36 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 35 39 1 0 0 0 0 38 40 1 0 0 0 0 36 41 1 0 0 0 0 29 42 1 0 0 0 0 31 43 1 0 0 0 0 33 44 1 0 0 0 0 23 45 2 0 0 0 0 21 46 2 0 0 0 0 24 47 2 0 0 0 0 25 48 2 0 0 0 0 M END > CHEBI:52159 > N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide) > 3 > 2,9-bis(2,4,6-trimethylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone > C42H30N2O4 > 626.69860 > 626.22056 > 0 > Cc1cc(C)c(c(C)c1)-n1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(-c1c(C)cc(C)cc1C)c5=O > InChI=1S/C42H30N2O4/c1-19-15-21(3)37(22(4)16-19)43-39(45)29-11-7-25-27-9-13-31-36-32(42(48)44(41(31)47)38-23(5)17-20(2)18-24(38)6)14-10-28(34(27)36)26-8-12-30(40(43)46)35(29)33(25)26/h7-18H,1-6H3 > XJCJXSPIEIOVOE-UHFFFAOYSA-N > 5206754 $$$$