About 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (PubChem CID 160609759) has the molecular formula C324H192N16
and a molecular weight of 4309.21 g/mol. Its IUPAC name is 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.
Frequently Asked Questions
What is the IUPAC name of 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The IUPAC name of 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (CID 160609759) is 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.
What is the SMILES notation for 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The canonical SMILES for 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n5c21.c1ccc2c(c1)c1c(ccc3c1c1cccc4c5ccccc5n3c41)c1ccc3c(c4cccc5c6ccccc6n3c54)c21.c1ccc2c(c1)c1cc3c4cccc5c6ccccc6n(c3cc1c1cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.c1ccc2c(c1)c1cccc3c4c5ccc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4c5ccc6cc7c(c8ccc(cc4n2c13)c5c68)c1cccc2c3ccccc3n7c21.c1ccc2c(c1)c1cccc3c4cc5c(ccc6cc7c(cc65)c5cccc6c8ccccc8n7c65)cc4n2c13.c1ccc2c(c1)c1cccc3c4cc5ccc6c7c(ccc(c57)c4n2c13)cc1c2cccc3c4ccccc4n(c32)c16.c1ccc2c(c1)c1cccc3c4cc5ccc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98.
What is the InChIKey of 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The InChIKey is RFIYAWFBZIXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2.2C42H22N2.2C40H20N2.3C38H20N2/c1-43(2,3)25-13-15-37-29(17-25)33-19-27(45(7,8)9)21-35-31-24-40-32(23-39(31)47(37)41(33)35)36-22-28(46(10,11)12)20-34-30-18-26(44(4,5)6)14-16-38(30)48(40)42(34)36;1-2-12-26-25(11-1)37-27(19-21-35-39(37)31-15-7-13-29-23-9-3-5-17-33(23)43(35)41(29)31)28-20-22-36-40(38(26)28)32-16-8-14-30-24-10-4-6-18-34(24)44(36)42(30)32;1-2-10-24-23(9-1)31-19-35-29-15-7-13-27-25-11-3-5-17-37(25)43(41(27)29)39(35)21-33(31)34-22-40-36(20-32(24)34)30-16-8-14-28-26-12-4-6-18-38(26)44(40)42(28)30;1-3-13-31-23(7-1)25-9-5-11-29-37-27-17-16-22-20-34-38(28-18-15-21(35(27)36(22)28)19-33(37)41(31)39(25)29)30-12-6-10-26-24-8-2-4-14-32(24)42(34)40(26)30;1-3-13-33-23(7-1)25-9-5-11-27-31-19-21-16-18-30-36-22(15-17-29(35(21)36)39(31)41(33)37(25)27)20-32-28-12-6-10-26-24-8-2-4-14-34(24)42(38(26)28)40(30)32;1-3-13-33-23(7-1)25-9-5-11-27-31-19-29-21(17-35(31)39(33)37(25)27)15-16-22-18-36-32(20-30(22)29)28-12-6-10-26-24-8-2-4-14-34(24)40(36)38(26)28;1-3-13-33-23(7-1)25-9-5-11-27-31-17-21-15-16-22-18-32-28-12-6-10-26-24-8-2-4-14-34(24)40(38(26)28)36(32)20-30(22)29(21)19-35(31)39(33)37(25)27;1-3-13-31-23(7-1)27-9-5-11-29-35-25-15-16-26-22(21(25)17-19-33(35)39(31)37(27)29)18-20-34-36(26)30-12-6-10-28-24-8-2-4-14-32(24)40(34)38(28)30/h13-24H,1-12H3;2*1-22H;2*1-20H;3*1-20H.
What are the key properties of 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene has a molecular weight of 4309.21 g/mol, XLogP of 88.72, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 160609759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).