14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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

C323H220N18O3 — CID 161150180

About 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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

14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 161150180) has the molecular formula C323H220N18O3 and a molecular weight of 4401.44 g/mol. Its IUPAC name is 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 Name: 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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: 161150180
• Molecular Formula: C323H220N18O3
• Molecular Weight: 4401.44 g/mol
• Exact Mass: 4397.76
• IUPAC Name: 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)ccc6n6c7ccc(C(C)(C)C)cc7c(cc4n2c13)c56.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5oc6c(ccc7c6c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c86)c5ccc4n2c13.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc(-n2c3cc4c5cccc6c7ccccc7n(c4cc3c3cc4c(cc32)c2cccc3c7ccccc7n4c32)c65)cc1.c1ccc2c(c1)c1cccc3c4c5c6ccccc6n6c7ccccc7c(cc4n2c13)c56.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4cc5oc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98
• InChI: InChI=1S/C52H50N2O.C46H48N2.2C42H23N3.C39H24N2.2C36H18N2O.C30H16N2/c1-49(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)25-14-17-36-29(19-25)31-22-28(46(10,11)12)23-34-39-38(48(36)41(31)34)24-32-30-20-26(44(4,5)6)13-16-35(30)47-37-18-15-27(45(7,8)9)21-33(37)40(39)42(32)47;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;1-3-13-29-19(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;1-4-13-23-17(8-1)19-11-7-12-21-27-26(32(23)29(19)21)16-22-18-9-2-5-14-24(18)31-25-15-6-3-10-20(25)28(27)30(22)31/h13-26H,1-12H3;13-24H,1-12H3;2*1-23H;3-20H,1-2H3;2*1-18H;1-16H
• InChIKey: UOOOGBDHSHDLPO-UHFFFAOYSA-N
• XLogP: 88.47
• TPSA: 119.84 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 2
• Heavy Atoms: 344
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4401.44
LogP ≤ 5	88.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 161150180) is 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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)cc3c4c5c6cc(C(C)(C)C)ccc6n6c7ccc(C(C)(C)C)cc7c(cc4n2c13)c56.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5oc6c(ccc7c6c6cc(C(C)(C)C)cc8c9cc(C(C)(C)C)ccc9n7c86)c5ccc4n2c13.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc(-n2c3cc4c5cccc6c7ccccc7n(c4cc3c3cc4c(cc32)c2cccc3c7ccccc7n4c32)c65)cc1.c1ccc2c(c1)c1cccc3c4c5c6ccccc6n6c7ccccc7c(cc4n2c13)c56.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1cccc3c4cc5oc6cc7c8cccc9c%10ccccc%10n(c7cc6c5cc4n2c13)c98.

What is the InChIKey of 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 UOOOGBDHSHDLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2O.C46H48N2.2C42H23N3.C39H24N2.2C36H18N2O.C30H16N2/c1-49(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)25-14-17-36-29(19-25)31-22-28(46(10,11)12)23-34-39-38(48(36)41(31)34)24-32-30-20-26(44(4,5)6)13-16-35(30)47-37-18-15-27(45(7,8)9)21-33(37)40(39)42(32)47;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;1-3-13-29-19(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;1-4-13-23-17(8-1)19-11-7-12-21-27-26(32(23)29(19)21)16-22-18-9-2-5-14-24(18)31-25-15-6-3-10-20(25)28(27)30(22)31/h13-26H,1-12H3;13-24H,1-12H3;2*1-23H;3-20H,1-2H3;2*1-18H;1-16H.

What are the key properties of 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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?

14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 4401.44 g/mol, XLogP of 88.47, 2 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8,10,12,16,18,20,22,25,27,29-pentadecaene;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;5,10,20,28-tetratert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3,5,7(32),8(13),9,11,16,18(23),19,21,25(30),26,28-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 161150180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).