About 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene
13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene (PubChem CID 157483664) has the molecular formula C274H137N37O7S2+14
and a molecular weight of 4123.50 g/mol. Its IUPAC name is 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene.
Frequently Asked Questions
What is the IUPAC name of 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene?
The IUPAC name of 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene (CID 157483664) is 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene.
What is the SMILES notation for 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene?
The canonical SMILES for 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene is c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc9n9cc[n+]5c9c78)O6)c4cc32)cc1.c1ccc2c(c1)c1ccc3c4c1c1n2cc[n+]1C41c2c(ccc4c5cnncc5n5cc[n+]1c5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2c2n1cc[n+]2C41c2c(ccc4c2c2n(cc[n+]21)c1c2ccccc2c2ccccc2c41)O3.c1ccc2c(c1)sc1cc3c(cc12)c1ccc2c4c1c1n3cc[n+]1C41c3c(ccc4c5cc6c(cc5n5cc[n+]1c5c34)sc1ccccc16)O2.c1ccc2nc3c(nc2c1)c1ccc2c4c1c1n3cc[n+]1C41c3c(ccc4c5ccccc5n5cc[n+]1c5c34)O2.c1ccc2nc3c4ccc5c6c4c4n(cc[n+]4C64c6c(ccc7c8ccccc8n8cc[n+]4c8c67)O5)c3cc2c1.c1cnc2nc3c4ccc5c6c4c4n(cc[n+]4C64c6c(ccc7c8ccccc8n8cc[n+]4c8c67)O5)c3cc2c1.
What is the InChIKey of 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene?
The InChIKey is IKVSTTRZOZEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N6O.C47H24N4O.C43H20N4OS2.C34H17N5O.2C33H16N6O.C29H14N6O/c1-3-11-31(12-4-1)60-41-17-9-7-15-33(41)37-27-39-35-19-21-47-51-49(35)53-56(43(39)29-45(37)60)23-25-58(53)55(51)52-48(62-47)22-20-36-40-28-38-34-16-8-10-18-42(34)61(32-13-5-2-6-14-32)46(38)30-44(40)57-24-26-59(55)54(57)50(36)52;1-5-13-29-25(9-1)27-11-3-7-15-31(27)43-37(29)33-17-19-35-41-39(33)45-48(43)21-23-50(45)47(41)42-36(52-35)20-18-34-38-30-14-6-2-10-26(30)28-12-4-8-16-32(28)44(38)49-22-24-51(47)46(49)40(34)42;1-3-7-33-21(5-1)27-17-25-23-9-11-31-39-37(23)41-44(29(25)19-35(27)49-33)13-15-46(41)43(39)40-32(48-31)12-10-24-26-18-28-22-6-2-4-8-34(22)50-36(28)20-30(26)45-14-16-47(43)42(45)38(24)40;1-3-7-22-18(5-1)17-24-31(35-22)21-10-12-26-30-28(21)33-37(24)14-16-39(33)34(30)29-25(40-26)11-9-20-19-6-2-4-8-23(19)36-13-15-38(34)32(36)27(20)29;1-4-8-22-17(5-1)18-9-11-23-27-25(18)31-36(22)13-15-38(31)33(27)28-24(40-23)12-10-19-26(28)32-37(14-16-39(32)33)30-29(19)34-20-6-2-3-7-21(20)35-30;1-2-6-21-18(5-1)19-7-9-23-27-25(19)31-36(21)12-14-38(31)33(27)28-24(40-23)10-8-20-26(28)32-37(13-15-39(32)33)22-16-17-4-3-11-34-30(17)35-29(20)22;1-2-4-19-15(3-1)16-5-7-21-25-23(16)27-32(19)9-11-34(27)29(25)26-22(36-21)8-6-17-18-13-30-31-14-20(18)33-10-12-35(29)28(33)24(17)26/h1-30H;1-24H;1-20H;1-17H;2*1-16H;1-14H/q7*+2.
What are the key properties of 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene?
13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene has a molecular weight of 4123.50 g/mol, XLogP of 52.64, 2 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 13,41-diphenyl-27-oxa-9,13,41,45-tetraza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;28-oxa-9,47-diaza-6,50-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27-oxa-13,41-dithia-9,45-diaza-6,48-diazoniapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;20-oxa-9,26,28,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25(34),26,28,30,32,36,38-octadecaene;20-oxa-9,26,33,35-tetraza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene;20-oxa-9,12,13,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;20-oxa-9,26,35-triaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,34.027,32.035,39]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,31,33,36,38-octadecaene is sourced from PubChem (CID 157483664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).