32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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

C288H144N18O6+6 — CID 160960584

IUPAC32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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
SMILESc1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4c6ccccc6c6ccccc6c4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4ccccc4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5c6ccccc6c6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccc6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccccc5c5c6ccccc6c1n5c24)O3
InChIInChI=1S/C56H28N3O.C52H26N3O.2C48H24N3O.C44H22N3O.C40H20N3O/c1-5-17-33-29(13-1)31-15-3-7-19-35(31)47-45(33)41-25-27-43-49-52(41)57-50(47)37-21-9-11-23-39(37)53(57)56(49)54-40-24-12-10-22-38(40)51-48-36-20-8-4-16-32(36)30-14-2-6-18-34(30)46(48)42-26-28-44(60-43)59(56)55(42)58(51)54;1-2-12-28-27(11-1)21-22-37-42(28)39-24-26-41-55-51(39)54-46(37)33-17-7-9-19-35(33)50(54)52(55)45-40(56-41)25-23-38-43-31-15-5-3-13-29(31)30-14-4-6-16-32(30)44(43)47-34-18-8-10-20-36(34)49(52)53(47)48(38)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)36-21-23-37-41-44(36)49-43(40)32-18-8-10-20-34(32)45(49)48(41)46-33-19-9-7-17-31(33)42-30-16-6-3-13-27(30)35-22-24-38(52-37)51(48)47(35)50(42)46;1-3-11-27-25(9-1)18-20-35-39(27)36-22-24-38-51-47(36)50-42(35)30-13-5-7-15-33(30)46(50)48(51)41-37(52-38)23-21-32-29-19-17-26-10-2-4-12-28(26)40(29)43-31-14-6-8-16-34(31)45(48)49(43)44(32)41;1-2-10-24-23(9-1)17-18-32-36(24)33-20-22-35-47-43(33)46-39(32)28-14-6-8-16-31(28)42(46)44(47)37-34(48-35)21-19-29-25-11-3-4-12-26(25)38-27-13-5-7-15-30(27)41(44)45(38)40(29)37;1-3-11-23-21(9-1)27-17-19-31-33-36(27)41-34(23)25-13-5-7-15-28(25)37(41)40(33)38-29-16-8-6-14-26(29)35-24-12-4-2-10-22(24)30-18-20-32(44-31)43(40)39(30)42(35)38/h1-28H;1-26H;2*1-24H;1-22H;1-20H/q6*+1
InChIKeyXPARGXOOMJKBMF-UHFFFAOYSA-N
MW3952.44 g/mol
LogP67.67
Rot. Bonds

About 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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

32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 (PubChem CID 160960584) has the molecular formula C288H144N18O6+6 and a molecular weight of 3952.44 g/mol. Its IUPAC name is 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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.

Molecular Properties

Compound Name32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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
PubChem CID160960584
Molecular FormulaC288H144N18O6+6
Molecular Weight3952.44 g/mol
Exact Mass3949.15
IUPAC Name32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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
SMILESc1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4c6ccccc6c6ccccc6c4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4ccccc4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5c6ccccc6c6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccc6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccccc5c5c6ccccc6c1n5c24)O3
InChIInChI=1S/C56H28N3O.C52H26N3O.2C48H24N3O.C44H22N3O.C40H20N3O/c1-5-17-33-29(13-1)31-15-3-7-19-35(31)47-45(33)41-25-27-43-49-52(41)57-50(47)37-21-9-11-23-39(37)53(57)56(49)54-40-24-12-10-22-38(40)51-48-36-20-8-4-16-32(36)30-14-2-6-18-34(30)46(48)42-26-28-44(60-43)59(56)55(42)58(51)54;1-2-12-28-27(11-1)21-22-37-42(28)39-24-26-41-55-51(39)54-46(37)33-17-7-9-19-35(33)50(54)52(55)45-40(56-41)25-23-38-43-31-15-5-3-13-29(31)30-14-4-6-16-32(30)44(43)47-34-18-8-10-20-36(34)49(52)53(47)48(38)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)36-21-23-37-41-44(36)49-43(40)32-18-8-10-20-34(32)45(49)48(41)46-33-19-9-7-17-31(33)42-30-16-6-3-13-27(30)35-22-24-38(52-37)51(48)47(35)50(42)46;1-3-11-27-25(9-1)18-20-35-39(27)36-22-24-38-51-47(36)50-42(35)30-13-5-7-15-33(30)46(50)48(51)41-37(52-38)23-21-32-29-19-17-26-10-2-4-12-28(26)40(29)43-31-14-6-8-16-34(31)45(48)49(43)44(32)41;1-2-10-24-23(9-1)17-18-32-36(24)33-20-22-35-47-43(33)46-39(32)28-14-6-8-16-31(28)42(46)44(47)37-34(48-35)21-19-29-25-11-3-4-12-26(25)38-27-13-5-7-15-30(27)41(44)45(38)40(29)37;1-3-11-23-21(9-1)27-17-19-31-33-36(27)41-34(23)25-13-5-7-15-28(25)37(41)40(33)38-29-16-8-6-14-26(29)35-24-12-4-2-10-22(24)30-18-20-32(44-31)43(40)39(30)42(35)38/h1-28H;1-26H;2*1-24H;1-22H;1-20H/q6*+1
InChIKeyXPARGXOOMJKBMF-UHFFFAOYSA-N
XLogP67.67
TPSA131.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003952.44
LogP ≤ 567.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 with MolForge

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Related Compounds

24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene
CID 160960585
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
25-oxa-14,44-diaza-2,4-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),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
CID 158922742
25-oxa-14,44-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),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
CID 161174731
31-oxa-12-aza-2,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.036,43.037,42]tritetraconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32,34,36(43),37,39,41-icosaene
CID 157414419
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
28-oxa-13,43-diaza-1,3-diazoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.017,22.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),5,7,9,11,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,44,46,48,50-tetracosaene
CID 158922740
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
19-(4-phenylphenyl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 135162831
14-phenanthren-2-yl-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.06,11.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4,6,8,10,12,16,18,20,24,26,28,30(34),31-hexadecaene
CID 163792282
1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.030,35.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29(38),30,32,34,36-nonadecaene
CID 163772543

Frequently Asked Questions

What is the IUPAC name of 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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?
The IUPAC name of 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 (CID 160960584) is 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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.
What is the SMILES notation for 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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?
The canonical SMILES for 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 is c1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4c6ccccc6c6ccccc6c4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4c6ccccc6c6ccccc6c4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)c1n3c4c5c(ccc4c4ccccc4c23)Oc2ccc3c4ccccc4c4c6ccccc6c6n4c3[n+]2C516.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5c6ccccc6c6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccc6ccccc6c5c5c6ccccc6c1n5c24)O3.c1ccc2c(c1)ccc1c2c2ccc3[n+]4c2n2c(c5ccccc5c12)C41c2c(ccc4c5ccccc5c5c6ccccc6c1n5c24)O3.
What is the InChIKey of 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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?
The InChIKey is XPARGXOOMJKBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H28N3O.C52H26N3O.2C48H24N3O.C44H22N3O.C40H20N3O/c1-5-17-33-29(13-1)31-15-3-7-19-35(31)47-45(33)41-25-27-43-49-52(41)57-50(47)37-21-9-11-23-39(37)53(57)56(49)54-40-24-12-10-22-38(40)51-48-36-20-8-4-16-32(36)30-14-2-6-18-34(30)46(48)42-26-28-44(60-43)59(56)55(42)58(51)54;1-2-12-28-27(11-1)21-22-37-42(28)39-24-26-41-55-51(39)54-46(37)33-17-7-9-19-35(33)50(54)52(55)45-40(56-41)25-23-38-43-31-15-5-3-13-29(31)30-14-4-6-16-32(30)44(43)47-34-18-8-10-20-36(34)49(52)53(47)48(38)45;1-4-14-28-25(11-1)26-12-2-5-15-29(26)40-39(28)36-21-23-37-41-44(36)49-43(40)32-18-8-10-20-34(32)45(49)48(41)46-33-19-9-7-17-31(33)42-30-16-6-3-13-27(30)35-22-24-38(52-37)51(48)47(35)50(42)46;1-3-11-27-25(9-1)18-20-35-39(27)36-22-24-38-51-47(36)50-42(35)30-13-5-7-15-33(30)46(50)48(51)41-37(52-38)23-21-32-29-19-17-26-10-2-4-12-28(26)40(29)43-31-14-6-8-16-34(31)45(48)49(43)44(32)41;1-2-10-24-23(9-1)17-18-32-36(24)33-20-22-35-47-43(33)46-39(32)28-14-6-8-16-31(28)42(46)44(47)37-34(48-35)21-19-29-25-11-3-4-12-26(25)38-27-13-5-7-15-30(27)41(44)45(38)40(29)37;1-3-11-23-21(9-1)27-17-19-31-33-36(27)41-34(23)25-13-5-7-15-28(25)37(41)40(33)38-29-16-8-6-14-26(29)35-24-12-4-2-10-22(24)30-18-20-32(44-31)43(40)39(30)42(35)38/h1-28H;1-26H;2*1-24H;1-22H;1-20H/q6*+1.
What are the key properties of 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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?
32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 has a molecular weight of 3952.44 g/mol, XLogP of 67.67, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 32-oxa-5,59-diaza-1-azoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,13.07,12.014,27.015,20.021,26.036,60.037,50.038,43.044,49.051,59.052,57]hexaconta-1(33),3(31),4(28),6,8,10,12,14(27),15,17,19,21,23,25,29,34,36(60),37(50),38,40,42,44,46,48,51,53,55,57-octacosaene;28-oxa-5,55-diaza-3-azoniahexadecacyclo[27.27.0.02,6.02,54.03,27.04,24.05,13.07,12.014,23.017,22.032,56.033,46.034,39.040,45.047,55.048,53]hexapentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(56),33(46),34,36,38,40,42,44,47,49,51,53-hexacosaene;25-oxa-6,52-diaza-4-azoniapentadecacyclo[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;28-oxa-5,51-diaza-1-azoniapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,13.07,12.014,23.015,20.032,52.033,42.034,39.043,51.044,49]dopentaconta-1(29),3(27),4(24),6,8,10,12,14(23),15,17,19,21,25,30,32(52),33(42),34,36,38,40,43,45,47,49-tetracosaene;24-oxa-5,47-diaza-1-azoniatetradecacyclo[23.23.0.02,6.02,46.03,23.04,20.05,13.07,12.014,19.028,48.029,38.030,35.039,47.040,45]octatetraconta-1(25),3(23),4(20),6,8,10,12,14,16,18,21,26,28(48),29(38),30,32,34,36,39,41,43,45-docosaene;24-oxa-5,43-diaza-1-azoniatridecacyclo[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 is sourced from PubChem (CID 160960584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).