About 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene
17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene (PubChem CID 158112466) has the molecular formula C293H147N31O6S2+12
and a molecular weight of 4261.74 g/mol. Its IUPAC name is 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene.
Frequently Asked Questions
What is the IUPAC name of 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene?
The IUPAC name of 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene (CID 158112466) is 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene.
What is the SMILES notation for 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene?
The canonical SMILES for 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene is c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5cc7c8ccccc8n(-c8ccccc8)c7cc5n5c7ccccc7[n+]2c5c34)O6)cc1.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2c2n1c1ccccc1[n+]2C41c2c(ccc4c2c2n(c5ccccc5[n+]21)c1c2ccccc2c2ccccc2c41)O3.c1ccc2c(c1)sc1cc3c(cc12)c1ccc2c4c1c1n3c3ccccc3[n+]1C41c3c(ccc4c5cc6c(cc5n5c7ccccc7[n+]1c5c34)sc1ccccc16)O2.c1ccc2nc3c(nc2c1)c1ccc2c4c1c1n3c3ccccc3[n+]1C41c3c(ccc4c5ccccc5n5c6ccccc6[n+]1c5c34)O2.c1ccc2nc3c4ccc5c6c4c4n(c3cc2c1)c1ccccc1[n+]4C61c2c(ccc3c4ccccc4n4c6ccccc6[n+]1c4c23)O5.c1cnc2nc3c4ccc5c6c4c4n(c3cc2c1)c1ccccc1[n+]4C61c2c(ccc3c4ccccc4n4c6ccccc6[n+]1c4c23)O5.
What is the InChIKey of 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene?
The InChIKey is GQXABBCBOGTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H34N6O.C55H28N4O.C51H24N4OS2.C42H21N5O.2C41H20N6O/c1-3-15-35(16-4-1)64-45-21-9-7-19-37(45)41-31-43-39-27-29-55-59-57(39)61-66(53(43)33-51(41)64)47-23-11-13-25-49(47)68(61)63(59)60-56(70-55)30-28-40-44-32-42-38-20-8-10-22-46(38)65(36-17-5-2-6-18-36)52(42)34-54(44)67-48-24-12-14-26-50(48)69(63)62(67)58(40)60;1-5-17-33-29(13-1)31-15-3-7-19-35(31)51-45(33)37-25-27-43-49-47(37)53-56(51)39-21-9-11-23-41(39)58(53)55(49)50-44(60-43)28-26-38-46-34-18-6-2-14-30(34)32-16-4-8-20-36(32)52(46)57-40-22-10-12-24-42(40)59(55)54(57)48(38)50;1-7-15-41-25(9-1)31-21-29-27-17-19-39-47-45(27)49-52(37(29)23-43(31)57-41)33-11-3-5-13-35(33)54(49)51(47)48-40(56-39)20-18-28-30-22-32-26-10-2-8-16-42(26)58-44(32)24-38(30)53-34-12-4-6-14-36(34)55(51)50(53)46(28)48;1-3-11-26-22(9-1)21-32-39(43-26)25-18-20-34-38-36(25)41-45(32)29-14-6-8-16-31(29)47(41)42(38)37-33(48-34)19-17-24-23-10-2-4-12-27(23)44-28-13-5-7-15-30(28)46(42)40(44)35(24)37;1-4-12-26-21(9-1)22-17-19-31-35-33(22)39-44(26)27-13-5-7-15-29(27)46(39)41(35)36-32(48-31)20-18-23-34(36)40-45(28-14-6-8-16-30(28)47(40)41)38-37(23)42-24-10-2-3-11-25(24)43-38;1-2-10-25-22(9-1)23-15-17-31-35-33(23)39-44(25)26-11-3-5-13-28(26)46(39)41(35)36-32(48-31)18-16-24-34(36)40-45(27-12-4-6-14-29(27)47(40)41)30-20-21-8-7-19-42-38(21)43-37(24)30/h1-34H;1-28H;1-24H;1-21H;2*1-20H/q6*+2.
What are the key properties of 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene?
17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene has a molecular weight of 4261.74 g/mol, XLogP of 62.28, 2 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 17,45-diphenyl-31-oxa-13,17,45,49-tetraza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;32-oxa-13,51-diaza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),5,7,9,11,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,52,54,56,58-octacosaene;31-oxa-17,45-dithia-13,49-diaza-6,56-diazoniaheptadecacyclo[30.26.0.02,6.02,56.03,30.04,27.05,13.07,12.014,26.016,24.018,23.035,58.036,48.038,46.039,44.049,57.050,55]octapentaconta-1(32),3(30),4(27),5,7,9,11,14(26),15,18,20,22,24,28,33,35(58),36(48),37,39,41,43,46,50,52,54,56-hexacosaene;24-oxa-13,30,32,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29(38),30,32,34,36,40,42,44,46-docosaene;24-oxa-13,30,37,39-tetraza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene;24-oxa-13,30,39-triaza-6,46-diazoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.031,36.039,47.040,45]octatetraconta-1(25),3(23),4(20),5,7,9,11,14,16,18,21,26,28(48),29,31,33,35,37,40,42,44,46-docosaene is sourced from PubChem (CID 158112466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).