7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene

C464H303N25O7 — CID 165021587

IUPAC7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5oc6c(ccc7c6c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c86)c5ccc4n2c13.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n5c21.CC1(C)c2c(ccc3c2c2cccc4c5ccccc5n3c42)-c2ccc3c(c21)c1cccc2c4ccccc4n3c21.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c4n2c13.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc(-n2c3cc4c5cccc6c7ccccc7n(c4cc3c3cc4c(cc32)c2cccc3c7ccccc7n4c32)c65)cc1.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5cc6c(cc5cc4n2c13)c1cccc2c3ccccc3n6c21.c1ccc2c(c1)c1cccc3c4cc5oc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98
InChIInChI=1S/C68H41N3O4.C52H50N2O.C46H48N2.2C42H23N3.2C39H24N2.2C36H18N2O.C34H18N2.C30H16N2/c1-38-18-3-9-28-50(38)69(52-30-16-24-44-40-20-5-11-32-56(40)72-65(44)52)54-36-48-42-22-7-13-34-58(42)74-67(48)63-60(54)46-26-15-27-47-61-55(37-49-43-23-8-14-35-59(43)75-68(49)64(61)71(63)62(46)47)70(51-29-10-4-19-39(51)2)53-31-17-25-45-41-21-6-12-33-57(41)73-66(45)53;1-49(2,3)27-13-17-39-33(21-27)35-23-29(51(7,8)9)25-37-43-41(53(39)45(35)37)19-15-31-32-16-20-42-44(48(32)55-47(31)43)38-26-30(52(10,11)12)24-36-34-22-28(50(4,5)6)14-18-40(34)54(42)46(36)38;1-43(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;1-2-10-24(11-3-1)43-37-20-31-29-16-8-14-27-25-12-4-6-18-35(25)44(41(27)29)39(31)22-33(37)34-23-40-32(21-38(34)43)30-17-9-15-28-26-13-5-7-19-36(26)45(40)42(28)30;1-2-10-24(11-3-1)43-41-29(20-22-35-37(41)31-16-8-14-27-25-12-4-6-18-33(25)44(35)39(27)31)30-21-23-36-38(42(30)43)32-17-9-15-28-26-13-5-7-19-34(26)45(36)40(28)32;1-39(2)31-17-29-25-13-7-11-23-21-9-3-5-15-33(21)40(37(23)25)35(29)19-27(31)28-20-36-30(18-32(28)39)26-14-8-12-24-22-10-4-6-16-34(22)41(36)38(24)26;1-39(2)35-23(17-19-31-33(35)27-13-7-11-25-21-9-3-5-15-29(21)40(31)37(25)27)24-18-20-32-34(36(24)39)28-14-8-12-26-22-10-4-6-16-30(22)41(32)38(26)28;1-3-13-29-19(7-1)21-9-5-11-23-25-17-33-27(15-31(25)37(29)35(21)23)28-16-32-26(18-34(28)39-33)24-12-6-10-22-20-8-2-4-14-30(20)38(32)36(22)24;1-3-13-27-19(7-1)21-9-5-11-25-31-29(37(27)33(21)25)17-15-23-24-16-18-30-32(36(24)39-35(23)31)26-12-6-10-22-20-8-2-4-14-28(20)38(30)34(22)26;1-3-13-29-21(7-1)23-9-5-11-25-27-15-20-18-32-28(16-19(20)17-31(27)35(29)33(23)25)26-12-6-10-24-22-8-2-4-14-30(22)36(32)34(24)26;1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h3-37H,1-2H3;13-26H,1-12H3;13-24H,1-12H3;2*1-23H;2*3-20H,1-2H3;2*1-18H;1-18H;1-16H
InChIKeyLFVWFMHSDCAWFS-UHFFFAOYSA-N
MW6340.70 g/mol
LogP124.04
Rot. Bonds8

About 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene

7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene (PubChem CID 165021587) has the molecular formula C464H303N25O7 and a molecular weight of 6340.70 g/mol. Its IUPAC name is 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene.

Molecular Properties

Compound Name7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene
PubChem CID165021587
Molecular FormulaC464H303N25O7
Molecular Weight6340.70 g/mol
Exact Mass6335.41
IUPAC Name7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5oc6c(ccc7c6c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c86)c5ccc4n2c13.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n5c21.CC1(C)c2c(ccc3c2c2cccc4c5ccccc5n3c42)-c2ccc3c(c21)c1cccc2c4ccccc4n3c21.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c4n2c13.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc(-n2c3cc4c5cccc6c7ccccc7n(c4cc3c3cc4c(cc32)c2cccc3c7ccccc7n4c32)c65)cc1.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5cc6c(cc5cc4n2c13)c1cccc2c3ccccc3n6c21.c1ccc2c(c1)c1cccc3c4cc5oc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98
InChIInChI=1S/C68H41N3O4.C52H50N2O.C46H48N2.2C42H23N3.2C39H24N2.2C36H18N2O.C34H18N2.C30H16N2/c1-38-18-3-9-28-50(38)69(52-30-16-24-44-40-20-5-11-32-56(40)72-65(44)52)54-36-48-42-22-7-13-34-58(42)74-67(48)63-60(54)46-26-15-27-47-61-55(37-49-43-23-8-14-35-59(43)75-68(49)64(61)71(63)62(46)47)70(51-29-10-4-19-39(51)2)53-31-17-25-45-41-21-6-12-33-57(41)73-66(45)53;1-49(2,3)27-13-17-39-33(21-27)35-23-29(51(7,8)9)25-37-43-41(53(39)45(35)37)19-15-31-32-16-20-42-44(48(32)55-47(31)43)38-26-30(52(10,11)12)24-36-34-22-28(50(4,5)6)14-18-40(34)54(42)46(36)38;1-43(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;1-2-10-24(11-3-1)43-37-20-31-29-16-8-14-27-25-12-4-6-18-35(25)44(41(27)29)39(31)22-33(37)34-23-40-32(21-38(34)43)30-17-9-15-28-26-13-5-7-19-36(26)45(40)42(28)30;1-2-10-24(11-3-1)43-41-29(20-22-35-37(41)31-16-8-14-27-25-12-4-6-18-33(25)44(35)39(27)31)30-21-23-36-38(42(30)43)32-17-9-15-28-26-13-5-7-19-34(26)45(36)40(28)32;1-39(2)31-17-29-25-13-7-11-23-21-9-3-5-15-33(21)40(37(23)25)35(29)19-27(31)28-20-36-30(18-32(28)39)26-14-8-12-24-22-10-4-6-16-34(22)41(36)38(24)26;1-39(2)35-23(17-19-31-33(35)27-13-7-11-25-21-9-3-5-15-29(21)40(31)37(25)27)24-18-20-32-34(36(24)39)28-14-8-12-26-22-10-4-6-16-30(22)41(32)38(26)28;1-3-13-29-19(7-1)21-9-5-11-23-25-17-33-27(15-31(25)37(29)35(21)23)28-16-32-26(18-34(28)39-33)24-12-6-10-22-20-8-2-4-14-30(20)38(32)36(22)24;1-3-13-27-19(7-1)21-9-5-11-25-31-29(37(27)33(21)25)17-15-23-24-16-18-30-32(36(24)39-35(23)31)26-12-6-10-22-20-8-2-4-14-28(20)38(30)34(22)26;1-3-13-29-21(7-1)23-9-5-11-25-27-15-20-18-32-28(16-19(20)17-31(27)35(29)33(23)25)26-12-6-10-24-22-8-2-4-14-30(22)36(32)34(24)26;1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h3-37H,1-2H3;13-26H,1-12H3;13-24H,1-12H3;2*1-23H;2*3-20H,1-2H3;2*1-18H;1-18H;1-16H
InChIKeyLFVWFMHSDCAWFS-UHFFFAOYSA-N
XLogP124.04
TPSA200.93 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds8
Heavy Atoms496
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006340.70
LogP ≤ 5124.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene?
The IUPAC name of 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene (CID 165021587) is 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene.
What is the SMILES notation for 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene?
The canonical SMILES for 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5oc6c(ccc7c6c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c86)c5ccc4n2c13.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n5c21.CC1(C)c2c(ccc3c2c2cccc4c5ccccc5n3c42)-c2ccc3c(c21)c1cccc2c4ccccc4n3c21.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c4n2c13.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc(-n2c3cc4c5cccc6c7ccccc7n(c4cc3c3cc4c(cc32)c2cccc3c7ccccc7n4c32)c65)cc1.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5cc6c(cc5cc4n2c13)c1cccc2c3ccccc3n6c21.c1ccc2c(c1)c1cccc3c4cc5oc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98.
What is the InChIKey of 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene?
The InChIKey is LFVWFMHSDCAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3O4.C52H50N2O.C46H48N2.2C42H23N3.2C39H24N2.2C36H18N2O.C34H18N2.C30H16N2/c1-38-18-3-9-28-50(38)69(52-30-16-24-44-40-20-5-11-32-56(40)72-65(44)52)54-36-48-42-22-7-13-34-58(42)74-67(48)63-60(54)46-26-15-27-47-61-55(37-49-43-23-8-14-35-59(43)75-68(49)64(61)71(63)62(46)47)70(51-29-10-4-19-39(51)2)53-31-17-25-45-41-21-6-12-33-57(41)73-66(45)53;1-49(2,3)27-13-17-39-33(21-27)35-23-29(51(7,8)9)25-37-43-41(53(39)45(35)37)19-15-31-32-16-20-42-44(48(32)55-47(31)43)38-26-30(52(10,11)12)24-36-34-22-28(50(4,5)6)14-18-40(34)54(42)46(36)38;1-43(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;1-2-10-24(11-3-1)43-37-20-31-29-16-8-14-27-25-12-4-6-18-35(25)44(41(27)29)39(31)22-33(37)34-23-40-32(21-38(34)43)30-17-9-15-28-26-13-5-7-19-36(26)45(40)42(28)30;1-2-10-24(11-3-1)43-41-29(20-22-35-37(41)31-16-8-14-27-25-12-4-6-18-33(25)44(35)39(27)31)30-21-23-36-38(42(30)43)32-17-9-15-28-26-13-5-7-19-34(26)45(36)40(28)32;1-39(2)31-17-29-25-13-7-11-23-21-9-3-5-15-33(21)40(37(23)25)35(29)19-27(31)28-20-36-30(18-32(28)39)26-14-8-12-24-22-10-4-6-16-34(22)41(36)38(24)26;1-39(2)35-23(17-19-31-33(35)27-13-7-11-25-21-9-3-5-15-29(21)40(31)37(25)27)24-18-20-32-34(36(24)39)28-14-8-12-26-22-10-4-6-16-30(22)41(32)38(26)28;1-3-13-29-19(7-1)21-9-5-11-23-25-17-33-27(15-31(25)37(29)35(21)23)28-16-32-26(18-34(28)39-33)24-12-6-10-22-20-8-2-4-14-30(20)38(32)36(22)24;1-3-13-27-19(7-1)21-9-5-11-25-31-29(37(27)33(21)25)17-15-23-24-16-18-30-32(36(24)39-35(23)31)26-12-6-10-22-20-8-2-4-14-28(20)38(30)34(22)26;1-3-13-29-21(7-1)23-9-5-11-25-27-15-20-18-32-28(16-19(20)17-31(27)35(29)33(23)25)26-12-6-10-24-22-8-2-4-14-30(22)36(32)34(24)26;1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h3-37H,1-2H3;13-26H,1-12H3;13-24H,1-12H3;2*1-23H;2*3-20H,1-2H3;2*1-18H;1-18H;1-16H.
What are the key properties of 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene?
7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene has a molecular weight of 6340.70 g/mol, XLogP of 124.04, 8 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene;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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;4,4-dimethyl-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23,23-dimethyl-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-oxa-1,8-diazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2(26),3,5,7(20),9,11,13,15(39),16,18,21,24,27,29,31(38),32,34,36-octadecaene;4-phenyl-4,18,27-triazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12,14,16,20,24,28,30,32,34(38),35-octadecaene;23-phenyl-1,8,23-triazaundecacyclo[25.10.1.18,15.02,26.04,24.05,22.07,20.09,14.031,38.032,37.019,39]nonatriaconta-2,4(24),5(22),6,9,11,13,15(39),16,18,20,25,27,29,31(38),32,34,36-octadecaene;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;9,14,31,36-tetratert-butyl-4-oxa-18,27-diazaundecacyclo[25.10.1.17,11.02,26.03,23.05,22.06,19.012,17.028,33.034,38.018,39]nonatriaconta-1(37),2(26),3(23),5(22),6(19),7,9,11(39),12(17),13,15,20,24,28(33),29,31,34(38),35-octadecaene is sourced from PubChem (CID 165021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).