25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene

C250H129N29O6+12 — CID 158493682

IUPAC25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene
SMILESc1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cnncc5c5c6ccccc6[n+]1n5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nccnc5c5c6ccccc6[n+]1n5c23)O4.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5n5c(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5c5c7ccccc7[n+]2n5c34)O6)cc1.c1ccc2c(c1)c1ccc3c4c1n1c2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2n2c1c1ccccc1[n+]2C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2cc3c(cc2c1)c1ccc2c4c1n1c3c3ccccc3[n+]1C41c3c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c34)O2
InChIInChI=1S/C51H27N5O.C47H24N4O.C43H22N4O.C39H20N4O.2C35H18N6O/c1-2-12-28(13-3-1)52-39-19-9-6-15-30(39)37-26-36-33-23-25-44-46-50(33)54-48(38(36)27-42(37)52)35-18-8-11-21-41(35)56(54)51(46)45-43(57-44)24-22-32-29-14-4-5-16-31(29)47-34-17-7-10-20-40(34)55(51)53(47)49(32)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)34-22-24-38-42-46(34)49-44(40)33-18-8-10-20-36(33)51(49)47(42)41-37(52-38)23-21-31-27-13-3-6-16-30(27)43-32-17-7-9-19-35(32)50(47)48(43)45(31)41;1-2-10-24-22-32-31(21-23(24)9-1)28-18-20-36-38-42(28)45-40(32)30-14-6-8-16-34(30)47(45)43(38)37-35(48-36)19-17-27-25-11-3-4-12-26(25)39-29-13-5-7-15-33(29)46(43)44(39)41(27)37;1-3-11-23-21(9-1)25-17-19-31-33-37(25)40-35(23)27-13-5-7-15-29(27)42(40)39(33)34-32(44-31)20-18-26-22-10-2-4-12-24(22)36-28-14-6-8-16-30(28)43(39)41(36)38(26)34;1-3-9-23-19(7-1)20-12-14-25-28-32(20)39(23)27-11-5-6-18-38(27)35(28)29-26(42-25)15-13-22-30-31(37-17-16-36-30)34-21-8-2-4-10-24(21)41(35)40(34)33(22)29;1-3-9-25-19(7-1)20-12-14-27-30-33(20)39(25)29-11-5-6-16-38(29)35(30)31-28(42-27)15-13-21-23-17-36-37-18-24(23)32-22-8-2-4-10-26(22)41(35)40(32)34(21)31/h1-27H;1-24H;1-22H;1-20H;2*1-18H/q6*+2
InChIKeyZGSRTBNHWNNXIM-UHFFFAOYSA-N
MW3634.98 g/mol
LogP49.20
Rot. Bonds1

About 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene

25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene (PubChem CID 158493682) has the molecular formula C250H129N29O6+12 and a molecular weight of 3634.98 g/mol. Its IUPAC name is 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene.

Molecular Properties

Compound Name25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene
PubChem CID158493682
Molecular FormulaC250H129N29O6+12
Molecular Weight3634.98 g/mol
Exact Mass3632.06
IUPAC Name25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene
SMILESc1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cnncc5c5c6ccccc6[n+]1n5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nccnc5c5c6ccccc6[n+]1n5c23)O4.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5n5c(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5c5c7ccccc7[n+]2n5c34)O6)cc1.c1ccc2c(c1)c1ccc3c4c1n1c2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2n2c1c1ccccc1[n+]2C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2cc3c(cc2c1)c1ccc2c4c1n1c3c3ccccc3[n+]1C41c3c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c34)O2
InChIInChI=1S/C51H27N5O.C47H24N4O.C43H22N4O.C39H20N4O.2C35H18N6O/c1-2-12-28(13-3-1)52-39-19-9-6-15-30(39)37-26-36-33-23-25-44-46-50(33)54-48(38(36)27-42(37)52)35-18-8-11-21-41(35)56(54)51(46)45-43(57-44)24-22-32-29-14-4-5-16-31(29)47-34-17-7-10-20-40(34)55(51)53(47)49(32)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)34-22-24-38-42-46(34)49-44(40)33-18-8-10-20-36(33)51(49)47(42)41-37(52-38)23-21-31-27-13-3-6-16-30(27)43-32-17-7-9-19-35(32)50(47)48(43)45(31)41;1-2-10-24-22-32-31(21-23(24)9-1)28-18-20-36-38-42(28)45-40(32)30-14-6-8-16-34(30)47(45)43(38)37-35(48-36)19-17-27-25-11-3-4-12-26(25)39-29-13-5-7-15-33(29)46(43)44(39)41(27)37;1-3-11-23-21(9-1)25-17-19-31-33-37(25)40-35(23)27-13-5-7-15-29(27)42(40)39(33)34-32(44-31)20-18-26-22-10-2-4-12-24(22)36-28-14-6-8-16-30(28)43(39)41(36)38(26)34;1-3-9-23-19(7-1)20-12-14-25-28-32(20)39(23)27-11-5-6-18-38(27)35(28)29-26(42-25)15-13-22-30-31(37-17-16-36-30)34-21-8-2-4-10-24(21)41(35)40(34)33(22)29;1-3-9-25-19(7-1)20-12-14-27-30-33(20)39(25)29-11-5-6-16-38(29)35(30)31-28(42-27)15-13-21-23-17-36-37-18-24(23)32-22-8-2-4-10-26(22)41(35)40(32)34(21)31/h1-27H;1-24H;1-22H;1-20H;2*1-18H/q6*+2
InChIKeyZGSRTBNHWNNXIM-UHFFFAOYSA-N
XLogP49.20
TPSA212.39 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds1
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003634.98
LogP ≤ 549.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene with MolForge

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Related Compounds

3,5-dimethyl-4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157217359
19-oxa-8,30-diaza-2,36-diazoniaundecacyclo[21.13.2.215,18.01,17.02,7.08,16.09,14.020,37.024,29.030,38.031,36]tetraconta-2,4,6,9,11,13,15,17,20(37),21,23(38),24,26,28,31,33,35,39-octadecaene
CID 161322502
31-oxa-4,42-diaza-6,48-diazoniapentadecacyclo[33.13.2.211,15.01,6.02,30.03,27.04,12.05,10.013,26.014,19.020,25.032,49.036,41.042,50.043,48]dopentaconta-2(30),3(27),5(10),6,8,11,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47,51-tetracosaene
CID 159154074
4-(2,4-dimethyl-6-phenyl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 158705379
23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]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;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene
CID 158600939
25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene
CID 159171297
4-methyl-3-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 159018295
11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
CID 157270096
4-indolizin-3-yl-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157266987
9-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157468309
16-phenyl-6,9,16-triazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;bis(22-phenyl-6,9,22-triazahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene);bis(23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene)
CID 161411761
23-oxa-4,14,34-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
CID 158282103

Frequently Asked Questions

What is the IUPAC name of 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene?
The IUPAC name of 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene (CID 158493682) is 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene.
What is the SMILES notation for 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene?
The canonical SMILES for 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene is c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cnncc5c5c6ccccc6[n+]1n5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nccnc5c5c6ccccc6[n+]1n5c23)O4.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5n5c(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5c5c7ccccc7[n+]2n5c34)O6)cc1.c1ccc2c(c1)c1ccc3c4c1n1c2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2n2c1c1ccccc1[n+]2C41c2c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c24)O3.c1ccc2cc3c(cc2c1)c1ccc2c4c1n1c3c3ccccc3[n+]1C41c3c(ccc4c5ccccc5c5c6ccccc6[n+]1n5c34)O2.
What is the InChIKey of 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene?
The InChIKey is ZGSRTBNHWNNXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H27N5O.C47H24N4O.C43H22N4O.C39H20N4O.2C35H18N6O/c1-2-12-28(13-3-1)52-39-19-9-6-15-30(39)37-26-36-33-23-25-44-46-50(33)54-48(38(36)27-42(37)52)35-18-8-11-21-41(35)56(54)51(46)45-43(57-44)24-22-32-29-14-4-5-16-31(29)47-34-17-7-10-20-40(34)55(51)53(47)49(32)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)34-22-24-38-42-46(34)49-44(40)33-18-8-10-20-36(33)51(49)47(42)41-37(52-38)23-21-31-27-13-3-6-16-30(27)43-32-17-7-9-19-35(32)50(47)48(43)45(31)41;1-2-10-24-22-32-31(21-23(24)9-1)28-18-20-36-38-42(28)45-40(32)30-14-6-8-16-34(30)47(45)43(38)37-35(48-36)19-17-27-25-11-3-4-12-26(25)39-29-13-5-7-15-33(29)46(43)44(39)41(27)37;1-3-11-23-21(9-1)25-17-19-31-33-37(25)40-35(23)27-13-5-7-15-29(27)42(40)39(33)34-32(44-31)20-18-26-22-10-2-4-12-24(22)36-28-14-6-8-16-30(28)43(39)41(36)38(26)34;1-3-9-23-19(7-1)20-12-14-25-28-32(20)39(23)27-11-5-6-18-38(27)35(28)29-26(42-25)15-13-22-30-31(37-17-16-36-30)34-21-8-2-4-10-24(21)41(35)40(34)33(22)29;1-3-9-25-19(7-1)20-12-14-27-30-33(20)39(25)29-11-5-6-16-38(29)35(30)31-28(42-27)15-13-21-23-17-36-37-18-24(23)32-22-8-2-4-10-26(22)41(35)40(32)34(21)31/h1-27H;1-24H;1-22H;1-20H;2*1-18H/q6*+2.
What are the key properties of 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene?
25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene has a molecular weight of 3634.98 g/mol, XLogP of 49.20, 1 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 25-oxa-6,52-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),7,9,11,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46,48,50-tetracosaene;24-oxa-5,47-diaza-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),6,8,10,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41,43,45-docosaene;24-oxa-5,43-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,13.07,12.014,19.028,44.029,34.035,43.036,41]tetratetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(44),29,31,33,35,37,39,41-icosaene;23-oxa-4,14,17,34-tetraza-5,40-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;23-oxa-4,15,16,34-tetraza-5,40-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;15-phenyl-29-oxa-3,15,48-triaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),4,6,8,10,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,40,42,44,46-tricosaene is sourced from PubChem (CID 158493682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).