13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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

C412H252N20O13 — CID 159843603

About 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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

13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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 (PubChem CID 159843603) has the molecular formula C412H252N20O13 and a molecular weight of 5690.68 g/mol. Its IUPAC name is 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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.

Molecular Properties

• Compound Name: 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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
• PubChem CID: 159843603
• Molecular Formula: C412H252N20O13
• Molecular Weight: 5690.68 g/mol
• Exact Mass: 5685.97
• IUPAC Name: 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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
• SMILES: CC1(C)c2c(ccc3c2c2cccc4c5ccccc5n3c42)-c2ccc3c(c21)c1cccc2c4ccccc4n3c21.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.Cc1ccccc1N(c1cccc2c1oc1c(C(C)(C)C)cccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc5c6ccccc6oc5c4n2c13.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c4n2c13.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6ccccc6oc5c5c4c4cccc6c7c(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc8c9ccccc9oc8c7n5c46)cccc23)cc1.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3c(cc2c1)c1cccc2c4ccccc4n3c21
• InChI: InChI=1S/C78H45N3O4.C76H57N3O4.C68H41N3O4.C42H23N3.2C39H24N2.C36H18N2O.C34H20N2/c1-5-22-46(23-6-1)50-32-17-34-54-56-36-20-40-62(75(56)84-73(50)54)79(48-26-9-3-10-27-48)64-44-60-52-30-13-15-42-66(52)82-77(60)71-68(64)58-38-19-39-59-69-65(45-61-53-31-14-16-43-67(53)83-78(61)72(69)81(71)70(58)59)80(49-28-11-4-12-29-49)63-41-21-37-57-55-35-18-33-51(74(55)85-76(57)63)47-24-7-2-8-25-47;1-42-22-9-13-34-56(42)77(58-36-20-28-48-46-26-18-32-54(75(3,4)5)69(46)82-71(48)58)60-40-52-44-24-11-15-38-62(44)80-73(52)67-64(60)50-30-17-31-51-65-61(41-53-45-25-12-16-39-63(45)81-74(53)68(65)79(67)66(50)51)78(57-35-14-10-23-43(57)2)59-37-21-29-49-47-27-19-33-55(76(6,7)8)70(47)83-72(49)59;1-38-18-3-9-28-50(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;1-2-10-24(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;1-3-13-27-19(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;1-4-13-30-24(8-1)25-9-2-5-14-31(25)35(30)23-17-16-21-20-33-29(19-22(21)18-23)28-12-7-11-27-26-10-3-6-15-32(26)36(33)34(27)28/h1-45H;9-41H,1-8H3;3-37H,1-2H3;1-23H;2*3-20H,1-2H3;1-18H;1-20H
• InChIKey: NOZTWYMNRHRYBF-UHFFFAOYSA-N
• XLogP: 115.93
• TPSA: 253.04 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 445
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5690.68
LogP ≤ 5	115.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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?

The IUPAC name of 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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 (CID 159843603) is 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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.

What is the SMILES notation for 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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?

The canonical SMILES for 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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 is CC1(C)c2c(ccc3c2c2cccc4c5ccccc5n3c42)-c2ccc3c(c21)c1cccc2c4ccccc4n3c21.CC1(C)c2cc3c4cccc5c6ccccc6n(c3cc2-c2cc3c(cc21)c1cccc2c6ccccc6n3c21)c54.Cc1ccccc1N(c1cccc2c1oc1c(C(C)(C)C)cccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc5c6ccccc6oc5c4n2c13.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2c3ccccc3oc2c2c1c1cccc3c4c(N(c5ccccc5C)c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c4n2c13.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6ccccc6oc5c5c4c4cccc6c7c(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc8c9ccccc9oc8c7n5c46)cccc23)cc1.c1ccc(-n2c3c(ccc4c3c3cccc5c6ccccc6n4c53)c3ccc4c(c5cccc6c7ccccc7n4c65)c32)cc1.c1ccc2c(c1)c1cccc3c4c5oc6c(ccc7c6c6cccc8c9ccccc9n7c86)c5ccc4n2c13.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3c(cc2c1)c1cccc2c4ccccc4n3c21.

What is the InChIKey of 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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?

The InChIKey is NOZTWYMNRHRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N3O4.C76H57N3O4.C68H41N3O4.C42H23N3.2C39H24N2.C36H18N2O.C34H20N2/c1-5-22-46(23-6-1)50-32-17-34-54-56-36-20-40-62(75(56)84-73(50)54)79(48-26-9-3-10-27-48)64-44-60-52-30-13-15-42-66(52)82-77(60)71-68(64)58-38-19-39-59-69-65(45-61-53-31-14-16-43-67(53)83-78(61)72(69)81(71)70(58)59)80(49-28-11-4-12-29-49)63-41-21-37-57-55-35-18-33-51(74(55)85-76(57)63)47-24-7-2-8-25-47;1-42-22-9-13-34-56(42)77(58-36-20-28-48-46-26-18-32-54(75(3,4)5)69(46)82-71(48)58)60-40-52-44-24-11-15-38-62(44)80-73(52)67-64(60)50-30-17-31-51-65-61(41-53-45-25-12-16-39-63(45)81-74(53)68(65)79(67)66(50)51)78(57-35-14-10-23-43(57)2)59-37-21-29-49-47-27-19-33-55(76(6,7)8)70(47)83-72(49)59;1-38-18-3-9-28-50(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;1-2-10-24(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;1-3-13-27-19(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;1-4-13-30-24(8-1)25-9-2-5-14-31(25)35(30)23-17-16-21-20-33-29(19-22(21)18-23)28-12-7-11-27-26-10-3-6-15-32(26)36(33)34(27)28/h1-45H;9-41H,1-8H3;3-37H,1-2H3;1-23H;2*3-20H,1-2H3;1-18H;1-20H.

What are the key properties of 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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?

13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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 has a molecular weight of 5690.68 g/mol, XLogP of 115.93, 22 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,21-N-bis(6-tert-butyldibenzofuran-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;6-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;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;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-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-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;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 is sourced from PubChem (CID 159843603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).