11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene

C203H149N25S2+8 — CID 157392306

About 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene

11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene (PubChem CID 157392306) has the molecular formula C203H149N25S2+8 and a molecular weight of 3002.73 g/mol. Its IUPAC name is 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene.

Molecular Properties

• Compound Name: 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene
• PubChem CID: 157392306
• Molecular Formula: C203H149N25S2+8
• Molecular Weight: 3002.73 g/mol
• Exact Mass: 3000.18
• IUPAC Name: 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene
• SMILES: CC1(C)c2cccc3c2N2c4c1ccc1c4C4(c5c(ccc6c7ccccc7n-1c56)-n1cc(-c5ccccc5)c[n+]14)[n+]1cccc(c12)C3(C)C.CN1C=CN2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c4N4c6c(cccc6C(C)(C)c6ccc[n+]3c64)C5(C)C)C12.CN1c2ccccc2N2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c4N4c6c(cccc6C(C)(C)c6ccc[n+]3c64)C5(C)C)C12.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4ccc3c2N2c4c(cccc4C(C)(C)c4ccc[n+]1c42)C3(C)C.c1cc2c3c(c1)Sc1ccc[n+]4c1N3c1c(ccc3c1C41c4c(ccc5c6ccccc6n-3c45)-n3ccc[n+]31)S2
• InChI: InChI=1S/C45H33N5.C44H34N5.C41H33N5.C40H32N5.C33H17N5S2/c1-43(2)30-15-10-16-31-40(30)50-41-32(43)20-22-36-38(41)45(46-23-11-17-33(42(46)50)44(31,3)4)37-35(47-24-27(25-48(45)47)26-12-6-5-7-13-26)21-19-29-28-14-8-9-18-34(28)49(36)39(29)37;1-42(2)26-13-10-14-27-38(26)49-39-28(42)20-22-33-36(39)44(46-23-11-15-29(40(46)49)43(27,3)4)35-34(48-32-18-9-8-17-31(32)45(5)41(44)48)21-19-25-24-12-6-7-16-30(24)47(33)37(25)35;1-22-21-23(2)46-41-33-31(43-30-15-8-7-11-24(30)25-16-18-32(45(22)46)34(41)35(25)43)19-17-28-37(33)44-36-26(39(28,3)4)12-9-13-27(36)40(5,6)29-14-10-20-42(41)38(29)44;1-38(2)24-11-8-12-25-34(24)45-35-26(38)16-18-30-32(35)40(43-19-9-13-27(36(43)45)39(25,3)4)31-29(42-21-20-41(5)37(40)42)17-15-23-22-10-6-7-14-28(22)44(30)33(23)31;1-2-7-20-18(6-1)19-11-12-21-27-29(19)37(20)22-13-14-25-31-28(22)33(27,36-17-5-16-35(21)36)34-15-4-10-26-32(34)38(31)30-23(39-25)8-3-9-24(30)40-26/h5-25H,1-4H3;6-23,41H,1-5H3;7-21H,1-6H3;6-21,37H,1-5H3;1-17H/q+2;+1;+2;+1;+2
• InChIKey: JSNZSJFOMVGCQC-UHFFFAOYSA-N
• XLogP: 40.31
• TPSA: 99.64 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3002.73
LogP ≤ 5	40.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene?

The IUPAC name of 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene (CID 157392306) is 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene.

What is the SMILES notation for 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene?

The canonical SMILES for 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene is CC1(C)c2cccc3c2N2c4c1ccc1c4C4(c5c(ccc6c7ccccc7n-1c56)-n1cc(-c5ccccc5)c[n+]14)[n+]1cccc(c12)C3(C)C.CN1C=CN2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c4N4c6c(cccc6C(C)(C)c6ccc[n+]3c64)C5(C)C)C12.CN1c2ccccc2N2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c4N4c6c(cccc6C(C)(C)c6ccc[n+]3c64)C5(C)C)C12.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4ccc3c2N2c4c(cccc4C(C)(C)c4ccc[n+]1c42)C3(C)C.c1cc2c3c(c1)Sc1ccc[n+]4c1N3c1c(ccc3c1C41c4c(ccc5c6ccccc6n-3c45)-n3ccc[n+]31)S2.

What is the InChIKey of 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene?

The InChIKey is JSNZSJFOMVGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N5.C44H34N5.C41H33N5.C40H32N5.C33H17N5S2/c1-43(2)30-15-10-16-31-40(30)50-41-32(43)20-22-36-38(41)45(46-23-11-17-33(42(46)50)44(31,3)4)37-35(47-24-27(25-48(45)47)26-12-6-5-7-13-26)21-19-29-28-14-8-9-18-34(28)49(36)39(29)37;1-42(2)26-13-10-14-27-38(26)49-39-28(42)20-22-33-36(39)44(46-23-11-15-29(40(46)49)43(27,3)4)35-34(48-32-18-9-8-17-31(32)45(5)41(44)48)21-19-25-24-12-6-7-16-30(24)47(33)37(25)35;1-22-21-23(2)46-41-33-31(43-30-15-8-7-11-24(30)25-16-18-32(45(22)46)34(41)35(25)43)19-17-28-37(33)44-36-26(39(28,3)4)12-9-13-27(36)40(5,6)29-14-10-20-42(41)38(29)44;1-38(2)24-11-8-12-25-34(24)45-35-26(38)16-18-30-32(35)40(43-19-9-13-27(36(43)45)39(25,3)4)31-29(42-21-20-41(5)37(40)42)17-15-23-22-10-6-7-14-28(22)44(30)33(23)31;1-2-7-20-18(6-1)19-11-12-21-27-29(19)37(20)22-13-14-25-31-28(22)33(27,36-17-5-16-35(21)36)34-15-4-10-26-32(34)38(31)30-23(39-25)8-3-9-24(30)40-26/h5-25H,1-4H3;6-23,41H,1-5H3;7-21H,1-6H3;6-21,37H,1-5H3;1-17H/q+2;+1;+2;+1;+2.

What are the key properties of 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene?

11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene has a molecular weight of 3002.73 g/mol, XLogP of 40.31, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 11,17-dithia-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,34,36-hexamethyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene;11,11,17,17,36-pentamethyl-4,22,33,36-tetraza-6-azoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34-hexadecaene;11,11,17,17,40-pentamethyl-4,22,33,40-tetraza-6-azoniatridecacyclo[20.19.2.14,12.01,6.02,21.03,18.05,10.023,28.029,43.032,42.033,41.034,39.016,44]tetratetraconta-2(21),3(18),5(10),6,8,12(44),13,15,19,23,25,27,29(43),30,32(42),34,36,38-octadecaene;11,11,17,17-tetramethyl-35-phenyl-4,22,33-triaza-6,37-diazoniadodecacyclo[20.15.2.14,12.01,6.02,21.03,18.05,10.023,28.029,39.032,38.033,37.016,40]tetraconta-2(21),3(18),5(10),6,8,12(40),13,15,19,23,25,27,29(39),30,32(38),34,36-heptadecaene is sourced from PubChem (CID 157392306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).