10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene

C215H108N26O7S3+12 — CID 160521740

About 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene

10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene (PubChem CID 160521740) has the molecular formula C215H108N26O7S3+12 and a molecular weight of 3263.60 g/mol. Its IUPAC name is 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene.

Molecular Properties

• Compound Name: 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene
• PubChem CID: 160521740
• Molecular Formula: C215H108N26O7S3+12
• Molecular Weight: 3263.60 g/mol
• Exact Mass: 3260.80
• IUPAC Name: 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene
• SMILES: Cn1c2[n+](c3ccccc31)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n5c6ccccc6[n+]1c5c4c23.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5n5c6occc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5cccnc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ncccc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2cc[n+]1C41c2c(ccc4c5ccccc5n5c6ccccc6[n+]1c5c24)O3
• InChI: InChI=1S/C37H18N4O2.C37H18N4OS.2C36H17N5OS.C35H18N4O.C34H20N4O/c1-3-9-23-19(7-1)21-13-15-28-32-30(21)34-38(23)25-11-5-6-12-26(25)40(34)37(32)33-29(43-28)16-14-22-20-8-2-4-10-24(20)39-35(31(22)33)41(37)27-17-18-42-36(27)39;1-3-9-23-19(7-1)21-13-15-28-32-30(21)34-38(23)25-11-5-6-12-26(25)40(34)37(32)33-29(42-28)16-14-22-20-8-2-4-10-24(20)39-35(31(22)33)41(37)27-17-18-43-36(27)39;1-2-8-22-18(6-1)19-11-13-26-30-28(19)33-38(22)23-9-3-4-10-24(23)40(33)36(30)31-27(42-26)14-12-20-21-7-5-16-37-32(21)39-34(29(20)31)41(36)25-15-17-43-35(25)39;1-2-7-21-18(6-1)19-11-13-26-30-28(19)33-38(21)22-8-3-4-9-23(22)40(33)36(30)31-27(42-26)14-12-20-29(31)34-39(24-10-5-16-37-32(20)24)35-25(41(34)36)15-17-43-35;1-3-9-23-19(7-1)21-13-15-27-31-29(21)33-36(23)17-18-37(33)35(31)32-28(40-27)16-14-22-20-8-2-4-10-24(20)38-25-11-5-6-12-26(25)39(35)34(38)30(22)32;1-35-23-12-4-6-14-25(23)37-32(35)21-10-8-16-27-30(21)34(37)31-28(39-27)18-17-20-19-9-2-3-11-22(19)36-24-13-5-7-15-26(24)38(34)33(36)29(20)31/h2*1-18H;2*1-17H;1-18H;2-18H,1H3/q6*+2
• InChIKey: TXKRDPJWNSKPEH-UHFFFAOYSA-N
• XLogP: 42.16
• TPSA: 194.30 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3263.60
LogP ≤ 5	42.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'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 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene?

The IUPAC name of 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene (CID 160521740) is 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene.

What is the SMILES notation for 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene?

The canonical SMILES for 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene is Cn1c2[n+](c3ccccc31)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n5c6ccccc6[n+]1c5c4c23.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5n5c6occc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ccccc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5cccnc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2c2ccccc2[n+]1C41c2c(ccc4c5ncccc5n5c6sccc6[n+]1c5c24)O3.c1ccc2c(c1)c1ccc3c4c1c1n2cc[n+]1C41c2c(ccc4c5ccccc5n5c6ccccc6[n+]1c5c24)O3.

What is the InChIKey of 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene?

The InChIKey is TXKRDPJWNSKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H18N4O2.C37H18N4OS.2C36H17N5OS.C35H18N4O.C34H20N4O/c1-3-9-23-19(7-1)21-13-15-28-32-30(21)34-38(23)25-11-5-6-12-26(25)40(34)37(32)33-29(43-28)16-14-22-20-8-2-4-10-24(20)39-35(31(22)33)41(37)27-17-18-42-36(27)39;1-3-9-23-19(7-1)21-13-15-28-32-30(21)34-38(23)25-11-5-6-12-26(25)40(34)37(32)33-29(42-28)16-14-22-20-8-2-4-10-24(20)39-35(31(22)33)41(37)27-17-18-43-36(27)39;1-2-8-22-18(6-1)19-11-13-26-30-28(19)33-38(22)23-9-3-4-10-24(23)40(33)36(30)31-27(42-26)14-12-20-21-7-5-16-37-32(21)39-34(29(20)31)41(36)25-15-17-43-35(25)39;1-2-7-21-18(6-1)19-11-13-26-30-28(19)33-38(21)22-8-3-4-9-23(22)40(33)36(30)31-27(42-26)14-12-20-29(31)34-39(24-10-5-16-37-32(20)24)35-25(41(34)36)15-17-43-35;1-3-9-23-19(7-1)21-13-15-27-31-29(21)33-36(23)17-18-37(33)35(31)32-28(40-27)16-14-22-20-8-2-4-10-24(20)38-25-11-5-6-12-26(25)39(35)34(38)30(22)32;1-35-23-12-4-6-14-25(23)37-32(35)21-10-8-16-27-30(21)34(37)31-28(39-27)18-17-20-19-9-2-3-11-22(19)36-24-13-5-7-15-26(24)38(34)33(36)29(20)31/h2*1-18H;2*1-17H;1-18H;2-18H,1H3/q6*+2.

What are the key properties of 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene?

10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene has a molecular weight of 3263.60 g/mol, XLogP of 42.16, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 10,23-dioxa-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;30-methyl-23-oxa-12,30-diaza-5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(38),29(37),31,33,35-heptadecaene;20-oxa-9,31-diaza-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,9.010,15.024,40.025,30.031,39.032,37]tetraconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(40),25,27,29,32,34,36,38-octadecaene;23-oxa-10-thia-12,34-diaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13,15,17,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,14,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene;23-oxa-10-thia-12,17,34-triaza-6,41-diazoniatridecacyclo[22.19.0.02,6.02,41.03,22.04,19.05,12.07,11.013,18.027,43.028,33.034,42.035,40]tritetraconta-1(24),3(22),4(19),5,7(11),8,13(18),14,16,20,25,27(43),28,30,32,35,37,39,41-nonadecaene is sourced from PubChem (CID 160521740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).