16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene

C405H217N39O11S+20 — CID 157118896

About 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene

16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene (PubChem CID 157118896) has the molecular formula C405H217N39O11S+20 and a molecular weight of 5837.52 g/mol. Its IUPAC name is 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene.

Molecular Properties

• Compound Name: 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene
• PubChem CID: 157118896
• Molecular Formula: C405H217N39O11S+20
• Molecular Weight: 5837.52 g/mol
• Exact Mass: 5832.72
• IUPAC Name: 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene
• SMILES: C1=Cc2c3c4c(cccc4c4c5ccc6[n+]7c5n5c(c8ccccc8c5c24)C72c4c(ccc5c7ccccc7n(c45)-c4cccc[n+]42)O6)CC=C3C1.c1cc2c3c(c1)-c1cccc[n+]1C31c3c4ccccc4c4c5cc6oc7ccccc7c6cc5c5ccc([n+]1c5n34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c4ccccc4c4c5cc6sc7ccccc7c6cc5c5ccc([n+]1c5n34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5c6ccccc6c6ccccc6c5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5c6ccccc6ccc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5cc6ccccc6cc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5ccc6ccccc6c5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5ccccc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5cnccc5c5ccc([n+]1c5n23)O4.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3c3n2c2c4ccc4[n+]2C32c3c(cccc3-c3cccc[n+]32)O4)cc1
• InChI: InChI=1S/C47H26N4O.C45H24N4O.C43H24N4O.3C41H22N4O.C37H20N4O.C37H19N3O2.C37H19N3OS.C36H19N5O/c1-2-13-30-28(12-1)43-41-32-15-8-10-26-19-18-25-9-7-14-31(38(25)39(26)32)40(41)33-21-23-37-51-46(33)50(43)45(30)47(51)42-35(52-37)22-20-29-27-11-3-4-16-34(27)49(44(29)42)36-17-5-6-24-48(36)47;1-3-14-28-25(11-1)26-12-2-4-15-29(26)39-38(28)33-21-23-37-49-44(33)48-41(39)30-16-5-6-17-32(30)43(48)45(49)40-35(50-37)22-20-31-27-13-7-8-18-34(27)47(42(31)40)36-19-9-10-24-46(36)45;1-2-11-25(12-3-1)45-35-18-7-6-13-26(35)32-23-31-29-20-21-38-47-42(29)46-40(33(31)24-36(32)45)27-14-4-5-15-28(27)41(46)43(47)39-30(16-10-19-37(39)48-38)34-17-8-9-22-44(34)43;1-2-10-24-22-31-30(21-23(24)9-1)29-17-19-35-45-40(29)44-37(31)26-12-3-4-13-28(26)39(44)41(45)36-33(46-35)18-16-27-25-11-5-6-14-32(25)43(38(27)36)34-15-7-8-20-42(34)41;1-2-10-24-23(9-1)16-17-26-30-19-21-34-45-40(30)44-37(35(24)26)27-12-3-4-13-29(27)39(44)41(45)36-32(46-34)20-18-28-25-11-5-6-14-31(25)43(38(28)36)33-15-7-8-22-42(33)41;1-2-10-24-23(9-1)16-17-29-35(24)30-19-21-34-45-40(30)44-37(29)26-12-3-4-13-28(26)39(44)41(45)36-32(46-34)20-18-27-25-11-5-6-14-31(25)43(38(27)36)33-15-7-8-22-42(33)41;1-2-11-23-21(9-1)27-17-19-31-41-36(27)40-33(23)24-12-3-4-13-26(24)35(40)37(41)32-29(42-31)18-16-25-22-10-5-6-14-28(22)39(34(25)32)30-15-7-8-20-38(30)37;1-2-10-22-21(9-1)34-27-19-31-26(20-8-3-4-13-29(20)41-31)18-25(27)23-15-16-32-40-36(23)39(34)35(22)37(40)33-24(11-7-14-30(33)42-32)28-12-5-6-17-38(28)37;1-2-10-22-21(9-1)34-27-19-31-26(20-8-3-4-14-30(20)42-31)18-25(27)23-15-16-32-40-36(23)39(34)35(22)37(40)33-24(11-7-13-29(33)41-32)28-12-5-6-17-38(28)37;1-2-9-24-22(8-1)32-26-19-37-17-16-20(26)25-13-15-30-41-35(25)40(32)34(24)36(41)31-28(42-30)14-12-23-21-7-3-4-10-27(21)39(33(23)31)29-11-5-6-18-38(29)36/h1-9,11-17,19-24H,10,18H2;1-24H;1-24H;3*1-22H;1-20H;3*1-19H/q10*+2
• InChIKey: PDWWILCOVIEDNE-UHFFFAOYSA-N
• XLogP: 81.76
• TPSA: 279.47 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 1
• Heavy Atoms: 456
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5837.52
LogP ≤ 5	81.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene?

The IUPAC name of 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene (CID 157118896) is 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene.

What is the SMILES notation for 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene?

The canonical SMILES for 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene is C1=Cc2c3c4c(cccc4c4c5ccc6[n+]7c5n5c(c8ccccc8c5c24)C72c4c(ccc5c7ccccc7n(c45)-c4cccc[n+]42)O6)CC=C3C1.c1cc2c3c(c1)-c1cccc[n+]1C31c3c4ccccc4c4c5cc6oc7ccccc7c6cc5c5ccc([n+]1c5n34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c4ccccc4c4c5cc6sc7ccccc7c6cc5c5ccc([n+]1c5n34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5c6ccccc6c6ccccc6c5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5c6ccccc6ccc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5cc6ccccc6cc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5ccc6ccccc6c5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5ccccc5c5ccc([n+]1c5n23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c3ccccc3c3c5cnccc5c5ccc([n+]1c5n23)O4.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3c3n2c2c4ccc4[n+]2C32c3c(cccc3-c3cccc[n+]32)O4)cc1.

What is the InChIKey of 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene?

The InChIKey is PDWWILCOVIEDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O.C45H24N4O.C43H24N4O.3C41H22N4O.C37H20N4O.C37H19N3O2.C37H19N3OS.C36H19N5O/c1-2-13-30-28(12-1)43-41-32-15-8-10-26-19-18-25-9-7-14-31(38(25)39(26)32)40(41)33-21-23-37-51-46(33)50(43)45(30)47(51)42-35(52-37)22-20-29-27-11-3-4-16-34(27)49(44(29)42)36-17-5-6-24-48(36)47;1-3-14-28-25(11-1)26-12-2-4-15-29(26)39-38(28)33-21-23-37-49-44(33)48-41(39)30-16-5-6-17-32(30)43(48)45(49)40-35(50-37)22-20-31-27-13-7-8-18-34(27)47(42(31)40)36-19-9-10-24-46(36)45;1-2-11-25(12-3-1)45-35-18-7-6-13-26(35)32-23-31-29-20-21-38-47-42(29)46-40(33(31)24-36(32)45)27-14-4-5-15-28(27)41(46)43(47)39-30(16-10-19-37(39)48-38)34-17-8-9-22-44(34)43;1-2-10-24-22-31-30(21-23(24)9-1)29-17-19-35-45-40(29)44-37(31)26-12-3-4-13-28(26)39(44)41(45)36-33(46-35)18-16-27-25-11-5-6-14-32(25)43(38(27)36)34-15-7-8-20-42(34)41;1-2-10-24-23(9-1)16-17-26-30-19-21-34-45-40(30)44-37(35(24)26)27-12-3-4-13-29(27)39(44)41(45)36-32(46-34)20-18-28-25-11-5-6-14-31(25)43(38(28)36)33-15-7-8-22-42(33)41;1-2-10-24-23(9-1)16-17-29-35(24)30-19-21-34-45-40(30)44-37(29)26-12-3-4-13-28(26)39(44)41(45)36-32(46-34)20-18-27-25-11-5-6-14-31(25)43(38(27)36)33-15-7-8-22-42(33)41;1-2-11-23-21(9-1)27-17-19-31-41-36(27)40-33(23)24-12-3-4-13-26(24)35(40)37(41)32-29(42-31)18-16-25-22-10-5-6-14-28(22)39(34(25)32)30-15-7-8-20-38(30)37;1-2-10-22-21(9-1)34-27-19-31-26(20-8-3-4-13-29(20)41-31)18-25(27)23-15-16-32-40-36(23)39(34)35(22)37(40)33-24(11-7-14-30(33)42-32)28-12-5-6-17-38(28)37;1-2-10-22-21(9-1)34-27-19-31-26(20-8-3-4-14-30(20)42-31)18-25(27)23-15-16-32-40-36(23)39(34)35(22)37(40)33-24(11-7-13-29(33)41-32)28-12-5-6-17-38(28)37;1-2-9-24-22(8-1)32-26-19-37-17-16-20(26)25-13-15-30-41-35(25)40(32)34(24)36(41)31-28(42-30)14-12-23-21-7-3-4-10-27(21)39(33(23)31)29-11-5-6-18-38(29)36/h1-9,11-17,19-24H,10,18H2;1-24H;1-24H;3*1-22H;1-20H;3*1-19H/q10*+2.

What are the key properties of 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene?

16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene has a molecular weight of 5837.52 g/mol, XLogP of 81.76, 1 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 16,30-dioxa-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,34-diaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-4,42-diaza-2,48-diazoniapentadecacyclo[33.13.2.218,21.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5,7,9,11,13(26),14(19),15,18(52),20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;31-oxa-4,42-diaza-2,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),5,7,9,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.014,19.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-4,38-diaza-2,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.016,21.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),5,7,9,11,13(22),14,16,18,20,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;30-oxa-16-thia-4-aza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene;23-oxa-4,15,34-triaza-2,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;16-phenyl-30-oxa-4,16-diaza-2,41-diazoniadodecacyclo[29.10.1.01,5.02,29.03,26.04,12.06,11.013,25.015,23.017,22.035,42.036,41]dotetraconta-2(29),3(26),5,7,9,11,13(25),14,17,19,21,23,27,31,33,35(42),36,38,40-nonadecaene is sourced from PubChem (CID 157118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).