About 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene
23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene (PubChem CID 157056695) has the molecular formula C295H159N29O7+14
and a molecular weight of 4221.71 g/mol. Its IUPAC name is 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene.
Frequently Asked Questions
What is the IUPAC name of 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene?
The IUPAC name of 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene (CID 157056695) is 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene.
What is the SMILES notation for 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene?
The canonical SMILES for 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene is C1=Cc2c3c4c(cccc4c4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9ccccc9n(c78)-c7cccc[n+]75)O6)c24)CC=C3C1.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2n(cc[n+]21)c1ccc2ccccc2c31)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cc6c7ccccc7c7ccccc7c6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cc6cc7ccccc7cc6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cc6cccc7c8cccc9cccc(c98)c(c67)c5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccc6ccccc6c5n5cc[n+]1c5c23)O4.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9ccccc9n(c78)-c7cccc[n+]75)O6)c4cc32)cc1.
What is the InChIKey of 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene?
The InChIKey is FHMKCUMYDXDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H24N4O.C45H25N5O.C45H24N4O.C43H24N4O.C41H22N4O.2C37H20N4O/c1-2-15-34-27(11-1)31-18-20-36-43-45(31)51(34)37-16-3-4-21-49(37)47(43)42-35(52-36)19-17-30-33-24-26-10-7-13-29-28-12-5-8-25-9-6-14-32(38(25)28)40(39(26)29)44(33)48-22-23-50(47)46(48)41(30)42;1-2-10-26(11-3-1)49-33-14-6-5-13-28(33)31-24-32-29-17-19-37-41-40(29)44-46(35(32)25-36(31)49)22-23-48(44)45(41)42-38(51-37)20-18-30-27-12-4-7-15-34(27)50(43(30)42)39-16-8-9-21-47(39)45;1-3-11-27-25(9-1)26-10-2-4-12-28(26)33-24-36-34(23-32(27)33)30-16-18-37-41-40(30)44-46(36)21-22-48(44)45(41)42-38(50-37)19-17-31-29-13-5-6-14-35(29)49(43(31)42)39-15-7-8-20-47(39)45;1-2-12-30-25(9-1)26-16-18-32-39-41(26)47(30)33-13-3-4-20-45(33)43(39)38-31(48-32)19-17-28-36-27-10-5-7-23-14-15-24-8-6-11-29(35(24)34(23)27)40(36)44-21-22-46(43)42(44)37(28)38;1-2-8-24-20-26-22-32-30(21-25(26)19-23(24)7-1)28-12-14-33-37-36(28)40-42(32)17-18-44(40)41(37)38-34(46-33)15-13-29-27-9-3-4-10-31(27)45(39(29)38)35-11-5-6-16-43(35)41;1-2-8-22-21(7-1)12-15-27-31(22)25-14-17-28-33-32(25)36-38(27)19-20-40(36)37(33)34-29(42-28)16-13-24-23-9-3-4-10-26(23)41(35(24)34)30-11-5-6-18-39(30)37;1-2-8-22-21(7-1)12-13-26-24-14-16-28-32-31(24)36-38(34(22)26)19-20-40(36)37(32)33-29(42-28)17-15-25-23-9-3-4-10-27(23)41(35(25)33)30-11-5-6-18-39(30)37/h1-24H;1-25H;1-24H;1-7,9-13,15-22H,8,14H2;1-22H;2*1-20H/q7*+2.
What are the key properties of 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene?
23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene has a molecular weight of 4221.71 g/mol, XLogP of 59.37, 1 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.010,15.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-8,42-diaza-5,48-diazoniapentadecacyclo[33.13.2.110,20.111,15.01,5.02,30.03,27.04,8.09,26.032,49.036,41.042,50.043,48.019,52.024,51]dopentaconta-2(30),3(27),4,6,9(26),10(51),11,13,15(52),16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tetracosaene;27-oxa-8,38-diaza-5,44-diazoniatetradecacyclo[29.13.2.214,17.01,5.02,26.03,23.04,8.09,22.010,15.016,21.028,45.032,37.038,46.039,44]octatetraconta-2(26),3(23),4,6,9(22),10(15),11,14(48),16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;31-oxa-8,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,8.09,26.011,24.012,17.018,23.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,9(26),10,12,14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-8,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,8.09,22.011,20.013,18.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;12-phenyl-26-oxa-8,12,37-triaza-5,43-diazoniatridecacyclo[28.13.2.01,5.02,25.03,22.04,8.09,21.011,19.013,18.027,44.031,36.037,45.038,43]pentatetraconta-2(25),3(22),4,6,9(21),10,13,15,17,19,23,27(44),28,30(45),31,33,35,38,40,42-icosaene is sourced from PubChem (CID 157056695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).