16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene

C204H104N22O6+12 — CID 158256431

About 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene

16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene (PubChem CID 158256431) has the molecular formula C204H104N22O6+12 and a molecular weight of 2959.22 g/mol. Its IUPAC name is 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene.

Molecular Properties

• Compound Name: 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene
• PubChem CID: 158256431
• Molecular Formula: C204H104N22O6+12
• Molecular Weight: 2959.22 g/mol
• Exact Mass: 2956.84
• IUPAC Name: 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene
• SMILES: c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5c6ccccc6c6cccc7ccc8c9ccc[n+]1c9n(c34)c8c5c76)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cc6ccccc6c6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5c5cc6ncc[n+]1c6n5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cncc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2
• InChI: InChI=1S/C41H21N3O.C37H19N3O.C33H17N3O.2C32H16N4O.C29H15N5O/c1-2-10-25-23(9-1)24-11-5-8-22-16-17-26-27-13-7-21-43-40(27)44-38(26)35(33(22)24)34(25)29-18-19-32-37(39(29)44)41(43)36-28(12-6-15-31(36)45-32)30-14-3-4-20-42(30)41;1-2-8-21-20(7-1)19-27-24-15-16-30-33-35(24)40-34-23(14-13-22(21)31(27)34)25-10-6-18-39(36(25)40)37(33)32-26(9-5-12-29(32)41-30)28-11-3-4-17-38(28)37;1-2-16-34-24(10-1)23-8-4-11-25-28(23)33(34)29-26(37-25)15-14-20-19-7-3-6-18-12-13-21-22-9-5-17-35(33)32(22)36(31(20)29)30(21)27(18)19;1-2-15-34-22(7-1)20-5-3-8-23-26(20)32(34)27-24(37-23)12-11-21-28-25-17(13-14-33-28)9-10-18-19-6-4-16-35(32)31(19)36(29(18)25)30(21)27;1-2-13-34-23(7-1)21-5-3-8-24-27(21)32(34)28-25(37-24)12-11-19-22-16-33-15-17-9-10-18-20-6-4-14-35(32)31(20)36(30(19)28)29(18)26(17)22;1-2-13-32-20(7-1)18-5-3-8-22-24(18)29(32)25-23(35-22)10-9-17-16-6-4-11-31-26(16)21-15-19-28(34(21)27(17)25)33(29)14-12-30-19/h1-21H;1-19H;1-17H;2*1-16H;1-15H/q6*+2
• InChIKey: MZBWFRDYZKKNDA-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 179.96 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2959.22
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene?

The IUPAC name of 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene (CID 158256431) is 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene.

What is the SMILES notation for 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene?

The canonical SMILES for 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene is c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5c6ccccc6c6cccc7ccc8c9ccc[n+]1c9n(c34)c8c5c76)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cc6ccccc6c6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cccnc5c5cc6ncc[n+]1c6n5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5cncc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nccc6ccc7c8ccc[n+]1c8n(c34)c7c65)O2.

What is the InChIKey of 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene?

The InChIKey is MZBWFRDYZKKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H21N3O.C37H19N3O.C33H17N3O.2C32H16N4O.C29H15N5O/c1-2-10-25-23(9-1)24-11-5-8-22-16-17-26-27-13-7-21-43-40(27)44-38(26)35(33(22)24)34(25)29-18-19-32-37(39(29)44)41(43)36-28(12-6-15-31(36)45-32)30-14-3-4-20-42(30)41;1-2-8-21-20(7-1)19-27-24-15-16-30-33-35(24)40-34-23(14-13-22(21)31(27)34)25-10-6-18-39(36(25)40)37(33)32-26(9-5-12-29(32)41-30)28-11-3-4-17-38(28)37;1-2-16-34-24(10-1)23-8-4-11-25-28(23)33(34)29-26(37-25)15-14-20-19-7-3-6-18-12-13-21-22-9-5-17-35(33)32(22)36(31(20)29)30(21)27(18)19;1-2-15-34-22(7-1)20-5-3-8-23-26(20)32(34)27-24(37-23)12-11-21-28-25-17(13-14-33-28)9-10-18-19-6-4-16-35(32)31(19)36(29(18)25)30(21)27;1-2-13-34-23(7-1)21-5-3-8-24-27(21)32(34)28-25(37-24)12-11-19-22-16-33-15-17-9-10-18-20-6-4-14-35(32)31(20)36(30(19)28)29(18)26(17)22;1-2-13-32-20(7-1)18-5-3-8-22-24(18)29(32)25-23(35-22)10-9-17-16-6-4-11-31-26(16)21-15-19-28(34(21)27(17)25)33(29)14-12-30-19/h1-21H;1-19H;1-17H;2*1-16H;1-15H/q6*+2.

What are the key properties of 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene?

16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene has a molecular weight of 2959.22 g/mol, XLogP of 38.02, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 16-oxa-1-aza-5,37-diazoniadodecacyclo[19.17.2.14,11.02,20.03,17.04,37.05,10.023,28.029,40.032,39.033,38.015,41]hentetraconta-2(20),3(17),5,7,9,11(41),12,14,18,21,23,25,27,29(40),30,32(39),33(38),34,36-nonadecaene;23-oxa-8-aza-6,12-diazoniatridecacyclo[37.3.2.111,18.02,7.06,11.08,42.09,27.010,24.012,17.028,41.029,34.035,40.022,45]pentatetraconta-1(42),2(7),3,5,9(27),10(24),12,14,16,18(45),19,21,25,28(41),29,31,33,35,37,39,43-henicosaene;16-oxa-1-aza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,22-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21,23,25(36),26,28(35),29(34),30,32-heptadecaene;16-oxa-1,23-diaza-5,33-diazoniaundecacyclo[19.13.2.14,11.02,20.03,17.04,33.05,10.025,36.028,35.029,34.015,37]heptatriaconta-2(20),3(17),5,7,9,11(37),12,14,18,21(36),22,24,26,28(35),29(34),30,32-heptadecaene;23-oxa-4,9,14-triaza-6,34-diazoniadecacyclo[22.10.1.01,6.02,22.03,19.04,12.05,10.013,18.028,35.029,34]pentatriaconta-2(22),3(19),5,7,9,11,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene is sourced from PubChem (CID 158256431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).