methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene

C205H140N30O6+6 — CID 157128479

About methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene

methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene (PubChem CID 157128479) has the molecular formula C205H140N30O6+6 and a molecular weight of 3119.58 g/mol. Its IUPAC name is methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene.

Molecular Properties

• Compound Name: methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene
• PubChem CID: 157128479
• Molecular Formula: C205H140N30O6+6
• Molecular Weight: 3119.58 g/mol
• Exact Mass: 3117.15
• IUPAC Name: methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene
• SMILES: C.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N(c5ccccc5-c5ccccc5-6)c5cccc[n+]53)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C(C)(C)c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C6(C)C)-c6ccccc6-c6ccc[n+]3c65)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c7cccc8c7n(c56)-c5c(ccc[n+]53)-c3ccccc3-8)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c7ccccc7c7cccc8c9cccn3c9[n+](c56)c78)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]3c65)O4)C12
• InChI: InChI=1S/2C36H26N5O.2C33H20N5O.2C33H22N5O.CH4/c1-35(2)24-13-6-11-22-20-9-4-5-10-21(20)23-12-8-18-40-33(23)41(31(22)24)32-25(35)16-17-28-30(32)36(40)29-26(14-7-15-27(29)42-28)39-19-37-38(3)34(36)39;1-35(2)24-12-6-11-22-20-9-4-5-10-21(20)23-16-17-28-30-32(23)41(31(22)24)33-25(35)13-8-18-40(33)36(30)29-26(14-7-15-27(29)42-28)39-19-37-38(3)34(36)39;1-35-32-33-27-24(36(32)17-34-35)12-5-13-25(27)39-26-15-14-22-21-10-4-9-20-18-7-2-3-8-19(18)23-11-6-16-37(33)31(23)38(29(20)21)30(22)28(26)33;1-35-32-33-27-24(36(32)17-34-35)12-5-13-25(27)39-26-15-14-22-19-8-3-2-7-18(19)20-9-4-10-21-23-11-6-16-37(33)31(23)38(29(20)21)30(22)28(26)33;1-35-32-33-29-25(36(32)19-34-35)14-6-16-27(29)39-28-17-7-15-26(30(28)33)38-24-13-5-4-11-22(24)20-9-2-3-10-21(20)23-12-8-18-37(33)31(23)38;1-35-32-33-29-25(36(32)19-34-35)13-8-14-26(29)39-27-17-16-23-21-10-3-2-9-20(21)22-11-4-5-12-24(22)38(31(23)30(27)33)28-15-6-7-18-37(28)33;/h2*4-19,34H,1-3H3;2*2-17,32H,1H3;2*2-19,32H,1H3;1H4/q6*+1
• InChIKey: OEGDUAOHAWOHFD-UHFFFAOYSA-N
• XLogP: 39.31
• TPSA: 214.74 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3119.58
LogP ≤ 5	39.31
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;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene?

The IUPAC name of methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene (CID 157128479) is methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene.

What is the SMILES notation for methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene?

The canonical SMILES for methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene is C.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N(c5ccccc5-c5ccccc5-6)c5cccc[n+]53)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C(C)(C)c7ccc[n+]3c75)-c3ccccc3-6)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c5N5c7c(cccc7C6(C)C)-c6ccccc6-c6ccc[n+]3c65)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c7cccc8c7n(c56)-c5c(ccc[n+]53)-c3ccccc3-8)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(ccc6c7ccccc7c7cccc8c9cccn3c9[n+](c56)c78)O4)C12.CN1N=CN2c3cccc4c3C3(c5c(cccc5N5c6ccccc6-c6ccccc6-c6ccc[n+]3c65)O4)C12.

What is the InChIKey of methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene?

The InChIKey is OEGDUAOHAWOHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H26N5O.2C33H20N5O.2C33H22N5O.CH4/c1-35(2)24-13-6-11-22-20-9-4-5-10-21(20)23-12-8-18-40-33(23)41(31(22)24)32-25(35)16-17-28-30(32)36(40)29-26(14-7-15-27(29)42-28)39-19-37-38(3)34(36)39;1-35(2)24-12-6-11-22-20-9-4-5-10-21(20)23-16-17-28-30-32(23)41(31(22)24)33-25(35)13-8-18-40(33)36(30)29-26(14-7-15-27(29)42-28)39-19-37-38(3)34(36)39;1-35-32-33-27-24(36(32)17-34-35)12-5-13-25(27)39-26-15-14-22-21-10-4-9-20-18-7-2-3-8-19(18)23-11-6-16-37(33)31(23)38(29(20)21)30(22)28(26)33;1-35-32-33-27-24(36(32)17-34-35)12-5-13-25(27)39-26-15-14-22-19-8-3-2-7-18(19)20-9-4-10-21-23-11-6-16-37(33)31(23)38(29(20)21)30(22)28(26)33;1-35-32-33-29-25(36(32)19-34-35)14-6-16-27(29)39-28-17-7-15-26(30(28)33)38-24-13-5-4-11-22(24)20-9-2-3-10-21(20)23-12-8-18-37(33)31(23)38;1-35-32-33-29-25(36(32)19-34-35)13-8-14-26(29)39-27-17-16-23-21-10-3-2-9-20(21)22-11-4-5-12-24(22)38(31(23)30(27)33)28-15-6-7-18-37(28)33;/h2*4-19,34H,1-3H3;2*2-17,32H,1H3;2*2-19,32H,1H3;1H4/q6*+1;.

What are the key properties of methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene?

methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene has a molecular weight of 3119.58 g/mol, XLogP of 39.31, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-methyl-13-oxa-4,5,7,19-tetraza-1-azoniadecacyclo[17.16.1.12,8.12,14.03,7.020,25.026,31.032,36.012,38.018,37]octatriaconta-1(35),5,8(38),9,11,14,16,18(37),20,22,24,26,28,30,32(36),33-hexadecaene;10-methyl-19-oxa-1,10,11,13-tetraza-7-azoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-hexadecaene;6-methyl-15-oxa-1,6,7,9-tetraza-35-azoniaundecacyclo[18.16.1.14,10.02,19.03,16.04,35.05,9.024,37.025,30.031,36.014,38]octatriaconta-2(19),3(16),7,10(38),11,13,17,20(37),21,23,25,27,29,31(36),32,34-hexadecaene;6-methyl-15-oxa-6,7,9,35-tetraza-1-azoniaundecacyclo[24.10.1.14,10.02,19.03,16.04,35.05,9.020,25.030,37.031,36.014,38]octatriaconta-1(36),2(19),3(16),7,10(38),11,13,17,20,22,24,26(37),27,29,31,33-hexadecaene;6,20,20-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[19.16.1.14,10.02,19.03,16.04,36.05,9.025,38.026,31.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,21,23,25(38),26,28,30,32(37),33,35-hexadecaene;6,31,31-trimethyl-15-oxa-1,6,7,9-tetraza-36-azoniaundecacyclo[24.11.1.14,10.02,19.03,16.04,36.05,9.020,25.030,38.032,37.014,39]nonatriaconta-2(19),3(16),7,10(39),11,13,17,20,22,24,26(38),27,29,32(37),33,35-hexadecaene is sourced from PubChem (CID 157128479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).