11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene

C191H125N25S+8 — CID 159588607

About 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene

11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene (PubChem CID 159588607) has the molecular formula C191H125N25S+8 and a molecular weight of 2802.34 g/mol. Its IUPAC name is 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene.

Molecular Properties

• Compound Name: 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene
• PubChem CID: 159588607
• Molecular Formula: C191H125N25S+8
• Molecular Weight: 2802.34 g/mol
• Exact Mass: 2800.02
• IUPAC Name: 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene
• SMILES: CC1(C)c2ccc[n+]3c2-n2c4c1cccc4c1ccc4c(c12)C31c2c(ccc3c5ccccc5n-4c23)-n2cc(-c3ccccc3)c[n+]21.CN1C=CN2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c6cccc7c6n(c45)-c4c(ccc[n+]43)C7(C)C)C12.CN1c2ccccc2N2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c6cccc7c6n(c45)-c4c(ccc[n+]43)C7(C)C)C12.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4ccc3c4cccc5c4n(c23)-c2c(ccc[n+]21)C5(C)C.c1ccc2c(c1)c1ccc3c4c1n2-c1ccc2c5cccc6c5n5c2c1C4([n+]1cccc(c1-5)S6)[n+]1cccn1-3
• InChI: InChI=1S/C42H27N5.C41H28N5.C38H27N5.C37H26N5.C33H17N5S/c1-41(2)30-14-8-13-27-29-18-20-34-36-39(29)47(37(27)30)40-31(41)15-9-21-43(40)42(36)35-33(44-22-25(23-45(42)44)24-10-4-3-5-11-24)19-17-28-26-12-6-7-16-32(26)46(34)38(28)35;1-40(2)26-12-8-11-23-25-18-19-31-33-37(25)46(35(23)26)38-27(40)13-9-21-43(38)41(33)34-32(45-30-16-7-6-15-29(30)42(3)39(41)45)20-17-24-22-10-4-5-14-28(22)44(31)36(24)34;1-20-19-21(2)43-38-31-29(40-28-13-6-5-9-22(28)24-15-17-30(42(20)43)32(38)34(24)40)16-14-25-23-10-7-11-26-33(23)41(35(25)31)36-27(37(26,3)4)12-8-18-39(36)38;1-36(2)24-10-6-9-21-23-14-16-28-30-33(23)42(31(21)24)34-25(36)11-7-17-40(34)37(30)29-27(39-19-18-38(3)35(37)39)15-13-22-20-8-4-5-12-26(20)41(28)32(22)29;1-2-8-22-18(6-1)20-11-13-23-27-30(20)37(22)24-14-12-21-19-7-3-9-25-29(19)38-31(21)28(24)33(27,36-17-5-16-35(23)36)34-15-4-10-26(39-25)32(34)38/h3-23H,1-2H3;4-21,39H,1-3H3;5-19H,1-4H3;4-19,35H,1-3H3;1-17H/q+2;+1;+2;+1;+2
• InChIKey: KUZOZHJAWQJROD-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 108.09 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 1
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2802.34
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene?

The IUPAC name of 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene (CID 159588607) is 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene.

What is the SMILES notation for 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene?

The canonical SMILES for 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene is CC1(C)c2ccc[n+]3c2-n2c4c1cccc4c1ccc4c(c12)C31c2c(ccc3c5ccccc5n-4c23)-n2cc(-c3ccccc3)c[n+]21.CN1C=CN2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c6cccc7c6n(c45)-c4c(ccc[n+]43)C7(C)C)C12.CN1c2ccccc2N2c3ccc4c5ccccc5n5c4c3C3(c4c-5ccc5c6cccc7c6n(c45)-c4c(ccc[n+]43)C7(C)C)C12.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4ccc3c4cccc5c4n(c23)-c2c(ccc[n+]21)C5(C)C.c1ccc2c(c1)c1ccc3c4c1n2-c1ccc2c5cccc6c5n5c2c1C4([n+]1cccc(c1-5)S6)[n+]1cccn1-3.

What is the InChIKey of 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene?

The InChIKey is KUZOZHJAWQJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5.C41H28N5.C38H27N5.C37H26N5.C33H17N5S/c1-41(2)30-14-8-13-27-29-18-20-34-36-39(29)47(37(27)30)40-31(41)15-9-21-43(40)42(36)35-33(44-22-25(23-45(42)44)24-10-4-3-5-11-24)19-17-28-26-12-6-7-16-32(26)46(34)38(28)35;1-40(2)26-12-8-11-23-25-18-19-31-33-37(25)46(35(23)26)38-27(40)13-9-21-43(38)41(33)34-32(45-30-16-7-6-15-29(30)42(3)39(41)45)20-17-24-22-10-4-5-14-28(22)44(31)36(24)34;1-20-19-21(2)43-38-31-29(40-28-13-6-5-9-22(28)24-15-17-30(42(20)43)32(38)34(24)40)16-14-25-23-10-7-11-26-33(23)41(35(25)31)36-27(37(26,3)4)12-8-18-39(36)38;1-36(2)24-10-6-9-21-23-14-16-28-30-33(23)42(31(21)24)34-25(36)11-7-17-40(34)37(30)29-27(39-19-18-38(3)35(37)39)15-13-22-20-8-4-5-12-26(20)41(28)32(22)29;1-2-8-22-18(6-1)20-11-13-23-27-30(20)37(22)24-14-12-21-19-7-3-9-25-29(19)38-31(21)28(24)33(27,36-17-5-16-35(23)36)34-15-4-10-26(39-25)32(34)38/h3-23H,1-2H3;4-21,39H,1-3H3;5-19H,1-4H3;4-19,35H,1-3H3;1-17H/q+2;+1;+2;+1;+2.

What are the key properties of 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene?

11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene has a molecular weight of 2802.34 g/mol, XLogP of 35.42, 1 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-34-phenyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,33,35-tetramethyl-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11-thia-4,21,32-triaza-6,36-diazoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33,35-heptadecaene;11,11,35-trimethyl-4,21,32,35-tetraza-6-azoniadodecacyclo[19.15.2.14,12.01,6.02,20.03,17.05,10.022,27.028,38.031,37.032,36.016,39]nonatriaconta-2(20),3(17),5(10),6,8,12,14,16(39),18,22,24,26,28(38),29,31(37),33-hexadecaene;11,11,39-trimethyl-4,21,32,39-tetraza-6-azoniatridecacyclo[19.19.2.14,12.01,6.02,20.03,17.05,10.022,27.028,42.031,41.032,40.033,38.016,43]tritetraconta-2(20),3(17),5(10),6,8,12,14,16(43),18,22,24,26,28(42),29,31(41),33,35,37-octadecaene is sourced from PubChem (CID 159588607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).