methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene

C229H152N30O6+6 — CID 161345209

About methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene

methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene (PubChem CID 161345209) has the molecular formula C229H152N30O6+6 and a molecular weight of 3419.94 g/mol. Its IUPAC name is methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene.

Molecular Properties

• Compound Name: methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene
• PubChem CID: 161345209
• Molecular Formula: C229H152N30O6+6
• Molecular Weight: 3419.94 g/mol
• Exact Mass: 3417.25
• IUPAC Name: methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene
• SMILES: C.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5-n5c7c(cccc7c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N(c5ccccc5-c5ccccc5-6)c5cccc[n+]53)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C(C)(C)c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C6(C)C)-c6ccccc6-c6ccc[n+]3c65)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c7cccc8c7n(c56)-c5c(ccc[n+]53)-c3ccccc3-8)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]3c65)O4)C12
• InChI: InChI=1S/2C40H28N5O.2C37H22N5O.2C37H24N5O.CH4/c1-39(2)26-14-6-12-24-22-10-4-5-11-23(22)25-13-9-21-43-37(25)45(34(24)26)35-27(39)18-19-31-33(35)40(43)32-28(15-7-17-30(32)46-31)44-29-16-8-20-41-36(29)42(3)38(40)44;1-39(2)26-13-6-12-24-22-10-4-5-11-23(22)25-18-19-31-33-35(25)45(34(24)26)37-27(39)14-9-21-43(37)40(33)32-28(15-7-17-30(32)46-31)44-29-16-8-20-41-36(29)42(3)38(40)44;1-39-34-27(14-6-18-38-34)41-26-13-5-15-28-30(26)37(36(39)41)31-29(43-28)17-16-24-23-11-4-10-22-20-8-2-3-9-21(20)25-12-7-19-40(37)35(25)42(32(22)23)33(24)31;1-39-34-27(14-6-18-38-34)41-26-13-5-15-28-30(26)37(36(39)41)31-29(43-28)17-16-24-21-9-3-2-8-20(21)22-10-4-11-23-25-12-7-19-40(37)35(25)42(32(22)23)33(24)31;1-39-34-29(17-8-20-38-34)42-28-16-7-19-31-33(28)37(36(39)42)32-27(15-6-18-30(32)43-31)41-26-14-5-4-12-24(26)22-10-2-3-11-23(22)25-13-9-21-40(37)35(25)41;1-39-35-28(15-9-20-38-35)41-27-14-8-16-29-32(27)37(36(39)41)33-30(43-29)19-18-25-23-11-3-2-10-22(23)24-12-4-5-13-26(24)42(34(25)33)31-17-6-7-21-40(31)37;/h2*4-21,38H,1-3H3;2*2-19,36H,1H3;2*2-21,36H,1H3;1H4/q6*+1
• InChIKey: CNVXZEUSLZZZOT-UHFFFAOYSA-N
• XLogP: 46.92
• TPSA: 217.70 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3419.94
LogP ≤ 5	46.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene?

The IUPAC name of methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene (CID 161345209) is methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene.

What is the SMILES notation for methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene?

The canonical SMILES for methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene is C.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5-n5c7c(cccc7c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N(c5ccccc5-c5ccccc5-6)c5cccc[n+]53)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C(C)(C)c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C6(C)C)-c6ccccc6-c6ccc[n+]3c65)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(ccc6c7cccc8c7n(c56)-c5c(ccc[n+]53)-c3ccccc3-8)O4)C12.CN1c2ncccc2N2c3cccc4c3C3(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]3c65)O4)C12.

What is the InChIKey of methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene?

The InChIKey is CNVXZEUSLZZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H28N5O.2C37H22N5O.2C37H24N5O.CH4/c1-39(2)26-14-6-12-24-22-10-4-5-11-23(22)25-13-9-21-43-37(25)45(34(24)26)35-27(39)18-19-31-33(35)40(43)32-28(15-7-17-30(32)46-31)44-29-16-8-20-41-36(29)42(3)38(40)44;1-39(2)26-13-6-12-24-22-10-4-5-11-23(22)25-18-19-31-33-35(25)45(34(24)26)37-27(39)14-9-21-43(37)40(33)32-28(15-7-17-30(32)46-31)44-29-16-8-20-41-36(29)42(3)38(40)44;1-39-34-27(14-6-18-38-34)41-26-13-5-15-28-30(26)37(36(39)41)31-29(43-28)17-16-24-23-11-4-10-22-20-8-2-3-9-21(20)25-12-7-19-40(37)35(25)42(32(22)23)33(24)31;1-39-34-27(14-6-18-38-34)41-26-13-5-15-28-30(26)37(36(39)41)31-29(43-28)17-16-24-21-9-3-2-8-20(21)22-10-4-11-23-25-12-7-19-40(37)35(25)42(32(22)23)33(24)31;1-39-34-29(17-8-20-38-34)42-28-16-7-19-31-33(28)37(36(39)42)32-27(15-6-18-30(32)43-31)41-26-14-5-4-12-24(26)22-10-2-3-11-23(22)25-13-9-21-40(37)35(25)41;1-39-35-28(15-9-20-38-35)41-27-14-8-16-29-32(27)37(36(39)41)33-30(43-29)19-18-25-23-11-3-2-10-22(23)24-12-4-5-13-26(24)42(34(25)33)31-17-6-7-21-40(31)37;/h2*4-21,38H,1-3H3;2*2-19,36H,1H3;2*2-21,36H,1H3;1H4/q6*+1;.

What are the key properties of methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene?

methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene has a molecular weight of 3419.94 g/mol, XLogP of 46.92, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methane;6-methyl-19-oxa-1,6,8,13-tetraza-39-azoniadodecacyclo[22.16.1.14,14.02,23.03,20.04,39.05,13.07,12.028,41.029,34.035,40.018,42]dotetraconta-2(23),3(20),7(12),8,10,14(42),15,17,21,24(41),25,27,29,31,33,35(40),36,38-octadecaene;39-methyl-26-oxa-4,32,37,39-tetraza-6-azoniadodecacyclo[25.13.1.14,11.01,6.02,25.03,22.05,10.016,21.031,41.032,40.033,38.015,42]dotetraconta-2(25),3(22),5(10),6,8,11(42),12,14,16,18,20,23,27,29,31(41),33(38),34,36-octadecaene;3-methyl-16-oxa-3,5,10,22-tetraza-39-azoniaundecacyclo[19.18.1.11,11.122,35.02,10.04,9.017,40.023,28.029,34.015,42.039,41]dotetraconta-4(9),5,7,11(42),12,14,17,19,21(40),23,25,27,29,31,33,35(41),36,38-octadecaene;38-methyl-25-oxa-8,31,36,38-tetraza-2-azoniaundecacyclo[19.18.2.11,26.02,7.08,41.09,14.015,20.024,40.031,39.032,37.030,42]dotetraconta-2,4,6,9,11,13,15,17,19,21(41),22,24(40),26,28,30(42),32(37),33,35-octadecaene;6,24,24-trimethyl-19-oxa-1,6,8,13-tetraza-40-azoniadodecacyclo[23.16.1.14,14.02,23.03,20.04,40.05,13.07,12.029,42.030,35.036,41.018,43]tritetraconta-2(23),3(20),7(12),8,10,14(43),15,17,21,25,27,29(42),30,32,34,36(41),37,39-octadecaene;11,11,40-trimethyl-27-oxa-4,33,38,40-tetraza-6-azoniadodecacyclo[26.13.1.14,12.01,6.02,26.03,23.05,10.017,22.032,42.033,41.034,39.016,43]tritetraconta-2(26),3(23),5(10),6,8,12,14,16(43),17,19,21,24,28,30,32(42),34(39),35,37-octadecaene is sourced from PubChem (CID 161345209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).