20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene

C266H135N25O8+16 — CID 158463119

IUPAC20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene
SMILESc1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5c5ccc[n+]1c5c34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5c5ccc[n+]1c5c23)O4.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cccnc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccncc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cnccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ncccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5nccnc5c5ccc[n+]1c5c24)O3
InChIInChI=1S/C35H19N3O.C35H18N2O.4C34H17N3O.C33H16N4O.C27H14N4O/c1-2-9-21-20(8-1)23-14-16-27-31-30(23)33-24(21)11-7-19-37(33)35(31)32-28(39-27)17-15-25-22-10-3-4-12-26(22)38(34(25)32)29-13-5-6-18-36(29)35;1-3-9-21-19(7-1)23-13-15-27-31-29(23)33-25(21)11-5-17-36(33)35(31)32-28(38-27)16-14-24-20-8-2-4-10-22(20)26-12-6-18-37(35)34(26)30(24)32;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-23(19)9-4-16-36(32)34(29)30-26(38-25)14-12-21-22-8-3-15-35-31(22)24-10-5-17-37(34)33(24)28(21)30;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-22(19)9-4-16-36(32)34(29)30-26(38-25)14-12-24-28(30)33-23(10-5-17-37(33)34)21-8-3-15-35-31(21)24;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-25-17-35-14-13-20(25)24-8-4-16-37(34)33(24)29(22)31;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-20-13-14-35-17-25(20)24-8-4-16-37(34)33(24)29(22)31;1-2-6-18-17(5-1)19-9-11-23-27-25(19)31-20(18)7-3-15-36(31)33(27)28-24(38-23)12-10-21-26(28)32-22(8-4-16-37(32)33)30-29(21)34-13-14-35-30;1-2-13-30-18(7-1)15-5-3-8-19-22(15)27(30)23-20(32-19)10-9-16-21(23)26-17(6-4-14-31(26)27)25-24(16)28-11-12-29-25/h1-19H;1-18H;4*1-17H;1-16H;1-14H/q8*+2
InChIKeyBKZNDUFWJUERQN-UHFFFAOYSA-N
MW3809.17 g/mol
LogP50.69
Rot. Bonds

About 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene

20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene (PubChem CID 158463119) has the molecular formula C266H135N25O8+16 and a molecular weight of 3809.17 g/mol. Its IUPAC name is 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene.

Molecular Properties

Compound Name20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene
PubChem CID158463119
Molecular FormulaC266H135N25O8+16
Molecular Weight3809.17 g/mol
Exact Mass3806.08
IUPAC Name20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene
SMILESc1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5c5ccc[n+]1c5c34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5c5ccc[n+]1c5c23)O4.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cccnc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccncc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cnccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ncccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5nccnc5c5ccc[n+]1c5c24)O3
InChIInChI=1S/C35H19N3O.C35H18N2O.4C34H17N3O.C33H16N4O.C27H14N4O/c1-2-9-21-20(8-1)23-14-16-27-31-30(23)33-24(21)11-7-19-37(33)35(31)32-28(39-27)17-15-25-22-10-3-4-12-26(22)38(34(25)32)29-13-5-6-18-36(29)35;1-3-9-21-19(7-1)23-13-15-27-31-29(23)33-25(21)11-5-17-36(33)35(31)32-28(38-27)16-14-24-20-8-2-4-10-22(20)26-12-6-18-37(35)34(26)30(24)32;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-23(19)9-4-16-36(32)34(29)30-26(38-25)14-12-21-22-8-3-15-35-31(22)24-10-5-17-37(34)33(24)28(21)30;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-22(19)9-4-16-36(32)34(29)30-26(38-25)14-12-24-28(30)33-23(10-5-17-37(33)34)21-8-3-15-35-31(21)24;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-25-17-35-14-13-20(25)24-8-4-16-37(34)33(24)29(22)31;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-20-13-14-35-17-25(20)24-8-4-16-37(34)33(24)29(22)31;1-2-6-18-17(5-1)19-9-11-23-27-25(19)31-20(18)7-3-15-36(31)33(27)28-24(38-23)12-10-21-26(28)32-22(8-4-16-37(32)33)30-29(21)34-13-14-35-30;1-2-13-30-18(7-1)15-5-3-8-19-22(15)27(30)23-20(32-19)10-9-16-21(23)26-17(6-4-14-31(26)27)25-24(16)28-11-12-29-25/h1-19H;1-18H;4*1-17H;1-16H;1-14H/q8*+2
InChIKeyBKZNDUFWJUERQN-UHFFFAOYSA-N
XLogP50.69
TPSA243.97 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms299
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003809.17
LogP ≤ 550.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene?
The IUPAC name of 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene (CID 158463119) is 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene.
What is the SMILES notation for 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene?
The canonical SMILES for 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene is c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccnc5c5ccc[n+]1c5c34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5c5ccc[n+]1c5c23)O4.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cccnc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ccncc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5cnccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5ncccc5c5ccc[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1c2ccc[n+]1C41c2c(ccc4c5nccnc5c5ccc[n+]1c5c24)O3.
What is the InChIKey of 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene?
The InChIKey is BKZNDUFWJUERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N3O.C35H18N2O.4C34H17N3O.C33H16N4O.C27H14N4O/c1-2-9-21-20(8-1)23-14-16-27-31-30(23)33-24(21)11-7-19-37(33)35(31)32-28(39-27)17-15-25-22-10-3-4-12-26(22)38(34(25)32)29-13-5-6-18-36(29)35;1-3-9-21-19(7-1)23-13-15-27-31-29(23)33-25(21)11-5-17-36(33)35(31)32-28(38-27)16-14-24-20-8-2-4-10-22(20)26-12-6-18-37(35)34(26)30(24)32;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-23(19)9-4-16-36(32)34(29)30-26(38-25)14-12-21-22-8-3-15-35-31(22)24-10-5-17-37(34)33(24)28(21)30;1-2-7-19-18(6-1)20-11-13-25-29-27(20)32-22(19)9-4-16-36(32)34(29)30-26(38-25)14-12-24-28(30)33-23(10-5-17-37(33)34)21-8-3-15-35-31(21)24;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-25-17-35-14-13-20(25)24-8-4-16-37(34)33(24)29(22)31;1-2-6-19-18(5-1)21-9-11-26-30-28(21)32-23(19)7-3-15-36(32)34(30)31-27(38-26)12-10-22-20-13-14-35-17-25(20)24-8-4-16-37(34)33(24)29(22)31;1-2-6-18-17(5-1)19-9-11-23-27-25(19)31-20(18)7-3-15-36(31)33(27)28-24(38-23)12-10-21-26(28)32-22(8-4-16-37(32)33)30-29(21)34-13-14-35-30;1-2-13-30-18(7-1)15-5-3-8-19-22(15)27(30)23-20(32-19)10-9-16-21(23)26-17(6-4-14-31(26)27)25-24(16)28-11-12-29-25/h1-19H;1-18H;4*1-17H;1-16H;1-14H/q8*+2.
What are the key properties of 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene?
20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene has a molecular weight of 3809.17 g/mol, XLogP of 50.69, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxa-31-aza-5,37-diazoniaundecacyclo[22.13.2.01,5.02,19.03,16.04,9.010,15.021,38.025,30.031,39.032,37]nonatriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21(38),22,24(39),25,27,29,32,34,36-octadecaene;21-oxa-12-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-13-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-14-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-15-aza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25(38),26,28,30,32(37),33,35-octadecaene;20-oxa-11,14-diaza-5,31-diazonianonacyclo[19.10.1.01,5.02,19.03,16.04,9.010,15.025,32.026,31]dotriaconta-2(19),3(16),4(9),5,7,10,12,14,17,21,23,25(32),26,28,30-pentadecaene;21-oxa-12,15-diaza-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene;21-oxa-6,36-diazoniaundecacyclo[20.16.0.02,6.02,36.03,20.04,17.05,10.011,16.025,38.026,31.032,37]octatriaconta-1(22),3(20),4(17),5(10),6,8,11,13,15,18,23,25(38),26,28,30,32(37),33,35-octadecaene is sourced from PubChem (CID 158463119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).