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8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 12 13 16 17 17 18 18 19 19 20 20 21 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 33 34 35 36 37 38 39 39 40 41 41 42 45 45 46 46 47 48 49 49 50 50 51 51 52 52 53 53 54 54 55 56 57 58 59 60 61 62 62 63 64 64 65 65 68 69 70 71 72 72 73 74 75 76 77 81 81 82 82 83 83 84 84 85 86 89 90 91 92 93 94 95 96 99 99 100 100 101 102 105 106 109 109 110 110 115 116 117 118 119 120 121 121 122 122 125 126 127 127 128 128 131 132 133 134 135 136 137 138 139 140 141 141 142 142 143 144 151 152 153 154 155 156 157 158 163 163 164 164 165 166 167 168 169 170 171 172 101 109 102 110 103 115 104 116 125 141 126 142 123 143 124 144 23 24 44 21 27 22 28 21 29 22 30 22 35 39 36 40 33 41 34 42 33 37 34 38 35 37 36 38 45 46 49 50 47 48 40 51 52 42 53 54 47 57 48 58 55 56 55 59 56 60 59 61 60 61 57 62 58 63 64 65 68 69 70 71 72 63 73 74 68 70 69 71 73 74 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00000371F07FC0000000000000000000000018300001E3C78F163060C183060800000001FE00001C00100000000E08C11E0430C0F2C99000A003346344008280202102200899203064980820E2C0D1D1842408609000C8C8071080C00FC8000200001000009000040000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1-[65-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methanimine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1-[65-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methanimine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1-[65-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.1<SUP>6,33</SUP>.0<SUP>5,40</SUP>.0<SUP>6,40</SUP>.0<SUP>7,32</SUP>.0<SUP>8,42</SUP>.0<SUP>9,30</SUP>.0<SUP>10,43</SUP>.0<SUP>11,60</SUP>.0<SUP>12,29</SUP>.0<SUP>13,59</SUP>.0<SUP>14,18</SUP>.0<SUP>15,28</SUP>.0<SUP>16,25</SUP>.0<SUP>17,22</SUP>.0<SUP>19,58</SUP>.0<SUP>20,56</SUP>.0<SUP>21,53</SUP>.0<SUP>23,52</SUP>.0<SUP>24,35</SUP>.0<SUP>26,34</SUP>.0<SUP>27,31</SUP>.0<SUP>36,51</SUP>.0<SUP>38,50</SUP>.0<SUP>39,47</SUP>.0<SUP>41,46</SUP>.0<SUP>44,61</SUP>.0<SUP>45,63</SUP>.0<SUP>48,64</SUP>.0<SUP>49,54</SUP>.0<SUP>55,64</SUP>.0<SUP>57,62</SUP>.0<SUP>63,65</SUP>.0<SUP>37,74</SUP>]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methanimine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1-[65-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methanimine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1-[65-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methanimine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(10,15,20-triphenyl-21,23-dihydroporphin-5-yl)phenyl]-[[5-[[4-(10,15,20-triphenyl-21,23-dihydroporphin-5-yl)phenyl]iminomethyl]-65-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methylene]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C164H76N10/c1-7-23-69(24-8-1)95-79-47-51-83(167-79)97(71-27-11-3-12-28-71)87-55-59-91(171-87)101(92-60-56-88(172-92)98(72-29-13-4-14-30-72)84-52-48-80(95)168-84)75-39-43-77(44-40-75)165-65-159-63-19-21-67-35-37-68(38-36-67)22-20-64-160(66-166-78-45-41-76(42-46-78)102-93-61-57-89(173-93)99(73-31-15-5-16-32-73)85-53-49-81(169-85)96(70-25-9-2-10-26-70)82-50-54-86(170-82)100(74-33-17-6-18-34-74)90-58-62-94(102)174-90)162-153-139-131-120-112-105-103-104-106-111(105)124(131)132-121-113(106)110-115-108(104)117-116-107(103)114-109(112)118-125-133-122(114)127(116)137-138-128(117)123(115)134-126-119(110)130(121)142-146-136(126)148-144(134)152(138)161(159)151(137)143(133)147-135(125)145(141(153)129(118)120)155(162)149-150(158(148)164(159,161)157(147)149)156(146)163(160,162)154(142)140(132)139/h1-18,23-62,65-66,167,169,172,174H,19-22,63-64H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RXKWVQLCIIAIDM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 34.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2185.62879730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C164H76N10 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2186.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=C(C=C1)C1=C3C=CC(=N3)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1N5)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3)C1=CC=CC=C1)C=NC1=CC=C(C=C1)C1=C3C=CC(=N3)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1N5)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3)C1=CC=CC=C1)C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=C(C=C1)C1=C3C=CC(=N3)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1N5)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3)C1=CC=CC=C1)C=NC1=CC=C(C=C1)C1=C3C=CC(=N3)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1N5)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3)C1=CC=CC=C1)C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 139 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2184.62544247 174 3 0 3 0 0 0 0 1 -1