12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene

C218H122N22O6+12 — CID 157074513

About 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene

12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene (PubChem CID 157074513) has the molecular formula C218H122N22O6+12 and a molecular weight of 3145.52 g/mol. Its IUPAC name is 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene.

Molecular Properties

• Compound Name: 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene
• PubChem CID: 157074513
• Molecular Formula: C218H122N22O6+12
• Molecular Weight: 3145.52 g/mol
• Exact Mass: 3142.99
• IUPAC Name: 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene
• SMILES: Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c5c5c(ccc[n+]53)n3c(C)c5ccccc5c63)O4)n12.Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)n12.Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(cccc5-c5cccc[n+]53)O4)n12.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c3c3c(ccc[n+]31)n1cc3ccccc3c41)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2c(ccc[n+]21)n1cc2ccccc2c31)O4.c1ccc2c(c1)cn1c3ccc[n+]4c3c3c5c(ccc3c21)Oc1ccc2c3c1C54[n+]1cccc(c31)n1cc3ccccc3c21
• InChI: InChI=1S/C41H24N4O.C39H20N4O.C38H22N4O.C37H20N4O.C32H19N3O.C31H17N3O/c1-21-23-9-3-5-11-25(23)37-27-15-17-31-35-33(27)39-29(44(21)37)13-7-19-42(39)41(35)36-32(46-31)18-16-28-34(36)40-30(14-8-20-43(40)41)45-22(2)24-10-4-6-12-26(24)38(28)45;1-3-9-23-21(7-1)19-40-27-11-5-17-42-37(27)31-25(35(23)40)13-15-29-33(31)39(42)34-30(44-29)16-14-26-32(34)38-28(12-6-18-43(38)39)41-20-22-8-2-4-10-24(22)36(26)41;1-21-22-9-2-3-11-24(22)35-26-16-18-29-33-32(26)37-28(41(21)35)13-8-20-40(37)38(33)34-30(43-29)17-15-25-23-10-4-5-12-27(23)42(36(25)34)31-14-6-7-19-39(31)38;1-2-9-22-21(8-1)20-38-27-12-7-19-40-36(27)31-25(34(22)38)15-17-28-32(31)37(40)33-29(42-28)16-14-24-23-10-3-4-11-26(23)41(35(24)33)30-13-5-6-18-39(30)37;1-18-19-8-2-3-9-20(19)30-22-14-15-26-29-27(22)31-24(35(18)30)12-7-17-34(31)32(29)28-21(10-6-13-25(28)36-26)23-11-4-5-16-33(23)32;1-2-8-19-18(7-1)17-32-23-11-6-16-34-30(23)26-21(29(19)32)13-14-25-28(26)31(34)27-20(9-5-12-24(27)35-25)22-10-3-4-15-33(22)31/h3-20H,1-2H3;1-20H;2-20H,1H3;1-20H;2-17H,1H3;1-17H/q6*+2
• InChIKey: FXBZYULREHFSJL-UHFFFAOYSA-N
• XLogP: 42.21
• TPSA: 147.08 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3145.52
LogP ≤ 5	42.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene?

The IUPAC name of 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene (CID 157074513) is 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene.

What is the SMILES notation for 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene?

The canonical SMILES for 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene is Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c5c5c(ccc[n+]53)n3c(C)c5ccccc5c63)O4)n12.Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)n12.Cc1c2ccccc2c2c3ccc4c5c3c3c(ccc[n+]3C53c5c(cccc5-c5cccc[n+]53)O4)n12.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c3c3c(ccc[n+]31)n1cc3ccccc3c41)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2c(ccc[n+]21)n1cc2ccccc2c31)O4.c1ccc2c(c1)cn1c3ccc[n+]4c3c3c5c(ccc3c21)Oc1ccc2c3c1C54[n+]1cccc(c31)n1cc3ccccc3c21.

What is the InChIKey of 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene?

The InChIKey is FXBZYULREHFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O.C39H20N4O.C38H22N4O.C37H20N4O.C32H19N3O.C31H17N3O/c1-21-23-9-3-5-11-25(23)37-27-15-17-31-35-33(27)39-29(44(21)37)13-7-19-42(39)41(35)36-32(46-31)18-16-28-34(36)40-30(14-8-20-43(40)41)45-22(2)24-10-4-6-12-26(24)38(28)45;1-3-9-23-21(7-1)19-40-27-11-5-17-42-37(27)31-25(35(23)40)13-15-29-33(31)39(42)34-30(44-29)16-14-26-32(34)38-28(12-6-18-43(38)39)41-20-22-8-2-4-10-24(22)36(26)41;1-21-22-9-2-3-11-24(22)35-26-16-18-29-33-32(26)37-28(41(21)35)13-8-20-40(37)38(33)34-30(43-29)17-15-25-23-10-4-5-12-27(23)42(36(25)34)31-14-6-7-19-39(31)38;1-2-9-22-21(8-1)20-38-27-12-7-19-40-36(27)31-25(34(22)38)15-17-28-32(31)37(40)33-29(42-28)16-14-24-23-10-3-4-11-26(23)41(35(24)33)30-13-5-6-18-39(30)37;1-18-19-8-2-3-9-20(19)30-22-14-15-26-29-27(22)31-24(35(18)30)12-7-17-34(31)32(29)28-21(10-6-13-25(28)36-26)23-11-4-5-16-33(23)32;1-2-8-19-18(7-1)17-32-23-11-6-16-34-30(23)26-21(29(19)32)13-14-25-28(26)31(34)27-20(9-5-12-24(27)35-25)22-10-3-4-15-33(22)31/h3-20H,1-2H3;1-20H;2-20H,1H3;1-20H;2-17H,1H3;1-17H/q6*+2.

What are the key properties of 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene?

12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene has a molecular weight of 3145.52 g/mol, XLogP of 42.21, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12,36-dimethyl-24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene;11-methyl-23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-10-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;23-oxa-10,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;24-oxa-11,37-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,12,14,16,18,21,26,28(44),29,31,33,35,38(43),39,41-icosaene is sourced from PubChem (CID 157074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).