2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)

C180H105F6N45O18S6 — CID 158474531

About 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)

2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide) (PubChem CID 158474531) has the molecular formula C180H105F6N45O18S6 and a molecular weight of 3492.51 g/mol. Its IUPAC name is 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide).

Molecular Properties

• Compound Name: 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)
• PubChem CID: 158474531
• Molecular Formula: C180H105F6N45O18S6
• Molecular Weight: 3492.51 g/mol
• Exact Mass: 3489.69
• IUPAC Name: 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)
• SMILES: Cc1ccc2c(c1)nc1n2c2nc3cc(C(F)(F)F)ccc3n2c2nc3cc(C(F)(F)F)ccc3n12.O=S(=O)(O)c1ccc2c(c1)nc1n2c2nc3ccccc3n2c2nc3cc(S(=O)(=O)O)c(S(=O)(=O)O)cc3n21.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.c1c2c(cc3c1nc1n3c3nc4cc5c(cc4n3c3nc4cc6c(cc4n13)CCCC6)CCCC5)CCCC2.c1ccc2c(c1)c1ccccc1c1c2nc2n1c1nc3c4ccccc4c4ccccc4c3n1c1nc3c4ccccc4c4ccccc4c3n21.c1cnc2c(c1)c1nc3n(c1c1cccnc12)c1nc2c4cccnc4c4ncccc4c2n1c1nc2c4cccnc4c4ncccc4c2n31.c1cnc2c(c1)nc1n3c4cccnc4nc3n3c4cccnc4nc3n21
• InChI: InChI=1S/C45H24N6.C39H18N12.C33H30N6.C24H12F6N6.C21H12N6O9S3.C18H9N9.3O3S/c1-7-19-31-25(13-1)28-16-4-10-22-34(28)40-37(31)46-43-49(40)44-47-39-33-21-9-3-15-27(33)30-18-6-12-24-36(30)42(39)51(44)45-48-38-32-20-8-2-14-26(32)29-17-5-11-23-35(29)41(38)50(43)45;1-7-19-25(40-13-1)28-22(10-4-16-43-28)34-31(19)46-37-49(34)38-47-33-21-9-3-15-42-27(21)30-24(12-6-18-45-30)36(33)51(38)39-48-32-20-8-2-14-41-26(20)29-23(11-5-17-44-29)35(32)50(37)39;1-4-10-22-16-28-25(13-19(22)7-1)34-31-37(28)32-35-27-15-21-9-3-6-12-24(21)18-30(27)39(32)33-36-26-14-20-8-2-5-11-23(20)17-29(26)38(31)33;1-11-2-5-17-14(8-11)31-20-34(17)21-32-16-10-13(24(28,29)30)4-7-19(16)36(21)22-33-15-9-12(23(25,26)27)3-6-18(15)35(20)22;28-37(29,30)10-5-6-15-12(7-10)23-20-26(15)19-22-11-3-1-2-4-14(11)25(19)21-24-13-8-17(38(31,32)33)18(39(34,35)36)9-16(13)27(20)21;1-4-10-15(21-9-1)27-16(22-10)25-11-5-2-7-19-13(11)23-17(25)26-12-6-3-8-20-14(12)24-18(26)27;3*1-4(2)3/h1-24H;1-18H;13-18H,1-12H2;2-10H,1H3;1-9H,(H,28,29,30)(H,31,32,33)(H,34,35,36);1-9H
• InChIKey: HGTRDUJMIKUMSR-UHFFFAOYSA-N
• XLogP: 32.64
• TPSA: 744.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 60
• Rotatable Bonds: 3
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3492.51
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)?

The IUPAC name of 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide) (CID 158474531) is 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide).

What is the SMILES notation for 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)?

The canonical SMILES for 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide) is Cc1ccc2c(c1)nc1n2c2nc3cc(C(F)(F)F)ccc3n2c2nc3cc(C(F)(F)F)ccc3n12.O=S(=O)(O)c1ccc2c(c1)nc1n2c2nc3ccccc3n2c2nc3cc(S(=O)(=O)O)c(S(=O)(=O)O)cc3n21.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.c1c2c(cc3c1nc1n3c3nc4cc5c(cc4n3c3nc4cc6c(cc4n13)CCCC6)CCCC5)CCCC2.c1ccc2c(c1)c1ccccc1c1c2nc2n1c1nc3c4ccccc4c4ccccc4c3n1c1nc3c4ccccc4c4ccccc4c3n21.c1cnc2c(c1)c1nc3n(c1c1cccnc12)c1nc2c4cccnc4c4ncccc4c2n1c1nc2c4cccnc4c4ncccc4c2n31.c1cnc2c(c1)nc1n3c4cccnc4nc3n3c4cccnc4nc3n21.

What is the InChIKey of 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)?

The InChIKey is HGTRDUJMIKUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24N6.C39H18N12.C33H30N6.C24H12F6N6.C21H12N6O9S3.C18H9N9.3O3S/c1-7-19-31-25(13-1)28-16-4-10-22-34(28)40-37(31)46-43-49(40)44-47-39-33-21-9-3-15-27(33)30-18-6-12-24-36(30)42(39)51(44)45-48-38-32-20-8-2-14-26(32)29-17-5-11-23-35(29)41(38)50(43)45;1-7-19-25(40-13-1)28-22(10-4-16-43-28)34-31(19)46-37-49(34)38-47-33-21-9-3-15-42-27(21)30-24(12-6-18-45-30)36(33)51(38)39-48-32-20-8-2-14-41-26(20)29-23(11-5-17-44-29)35(32)50(37)39;1-4-10-22-16-28-25(13-19(22)7-1)34-31-37(28)32-35-27-15-21-9-3-6-12-24(21)18-30(27)39(32)33-36-26-14-20-8-2-5-11-23(20)17-29(26)38(31)33;1-11-2-5-17-14(8-11)31-20-34(17)21-32-16-10-13(24(28,29)30)4-7-19(16)36(21)22-33-15-9-12(23(25,26)27)3-6-18(15)35(20)22;28-37(29,30)10-5-6-15-12(7-10)23-20-26(15)19-22-11-3-1-2-4-14(11)25(19)21-24-13-8-17(38(31,32)33)18(39(34,35)36)9-16(13)27(20)21;1-4-10-15(21-9-1)27-16(22-10)25-11-5-2-7-19-13(11)23-17(25)26-12-6-3-8-20-14(12)24-18(26)27;3*1-4(2)3/h1-24H;1-18H;13-18H,1-12H2;2-10H,1H3;1-9H,(H,28,29,30)(H,31,32,33)(H,34,35,36);1-9H;;;.

What are the key properties of 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide)?

2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide) has a molecular weight of 3492.51 g/mol, XLogP of 32.64, 3 rotatable bonds, 3 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8,11,17,19,25,28,34,36,42,45,51-dodecazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4(9),5,7,10(15),11,13,17,20(33),21(26),22,24,27(32),28,30,34,37(50),38(43),39,41,44(49),45,47-tetracosaene;2,13,15,26,28,39-hexazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,10,13,16(25),17,23,26,29(38),30,36-dodecaene;2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21(26),22,24-dodecaene-5,6,24-trisulfonic acid;2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.04,9.010,15.019,35.020,33.021,26.027,32.037,50.038,43.044,49]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene;6-methyl-15,24-bis(trifluoromethyl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;2,4,9,11,16,18,20,25,27-nonazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene;tris(sulfur trioxide) is sourced from PubChem (CID 158474531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).