12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

C242H138N22O6+12 — CID 157270091

About 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (PubChem CID 157270091) has the molecular formula C242H138N22O6+12 and a molecular weight of 3449.91 g/mol. Its IUPAC name is 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.

Molecular Properties

• Compound Name: 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
• PubChem CID: 157270091
• Molecular Formula: C242H138N22O6+12
• Molecular Weight: 3449.91 g/mol
• Exact Mass: 3447.11
• IUPAC Name: 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
• SMILES: Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c5c5c(ccc[n+]53)c3c(C)c5ccccc5n63)O4)c12.Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)c12.Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(cccc5-c5cccc[n+]53)O4)c12.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c6c6c(ccc[n+]64)c4c(-c6ccccc6)c6ccccc6n74)O5)c23)cc1.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c8ccccc8n(c67)-c6cccc[n+]64)O5)c23)cc1.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(cccc6-c6cccc[n+]64)O5)c23)cc1
• InChI: InChI=1S/C51H28N4O.C43H24N4O.C41H24N4O.C38H22N4O.C37H21N3O.C32H19N3O/c1-3-13-29(14-4-1)41-31-17-7-9-21-35(31)54-37-23-25-39-45-43(37)47-33(49(41)54)19-11-27-52(47)51(45)46-40(56-39)26-24-38-44(46)48-34(20-12-28-53(48)51)50-42(30-15-5-2-6-16-30)32-18-8-10-22-36(32)55(38)50;1-2-11-25(12-3-1)36-28-14-5-7-17-31(28)46-32-20-22-33-38-37(32)40-29(41(36)46)15-10-24-45(40)43(38)39-34(48-33)21-19-27-26-13-4-6-16-30(26)47(42(27)39)35-18-8-9-23-44(35)43;1-21-23-9-3-5-13-27(23)44-29-15-17-31-35-33(29)39-25(37(21)44)11-7-19-42(39)41(35)36-32(46-31)18-16-30-34(36)40-26(12-8-20-43(40)41)38-22(2)24-10-4-6-14-28(24)45(30)38;1-21-22-9-2-4-12-26(22)41-28-16-18-29-33-32(28)36-25(35(21)41)11-8-20-40(36)38(33)34-30(43-29)17-15-24-23-10-3-5-13-27(23)42(37(24)34)31-14-6-7-19-39(31)38;1-2-10-22(11-3-1)31-23-12-4-5-16-27(23)40-28-18-19-30-34-32(28)35-25(36(31)40)14-9-21-39(35)37(34)33-24(13-8-17-29(33)41-30)26-15-6-7-20-38(26)37;1-18-19-8-2-3-12-23(19)35-24-14-15-26-29-27(24)31-21(30(18)35)10-7-17-34(31)32(29)28-20(9-6-13-25(28)36-26)22-11-4-5-16-33(22)32/h1-28H;1-24H;3-20H,1-2H3;2-20H,1H3;1-21H;2-17H,1H3/q6*+2
• InChIKey: YOEPEZZCOMWARB-UHFFFAOYSA-N
• XLogP: 48.88
• TPSA: 147.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3449.91
LogP ≤ 5	48.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The IUPAC name of 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (CID 157270091) is 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.

What is the SMILES notation for 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The canonical SMILES for 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c5c5c(ccc[n+]53)c3c(C)c5ccccc5n63)O4)c12.Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)c12.Cc1c2ccccc2n2c3ccc4c5c3c3c(ccc[n+]3C53c5c(cccc5-c5cccc[n+]53)O4)c12.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c6c6c(ccc[n+]64)c4c(-c6ccccc6)c6ccccc6n74)O5)c23)cc1.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c8ccccc8n(c67)-c6cccc[n+]64)O5)c23)cc1.c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(cccc6-c6cccc[n+]64)O5)c23)cc1.

What is the InChIKey of 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The InChIKey is YOEPEZZCOMWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O.C43H24N4O.C41H24N4O.C38H22N4O.C37H21N3O.C32H19N3O/c1-3-13-29(14-4-1)41-31-17-7-9-21-35(31)54-37-23-25-39-45-43(37)47-33(49(41)54)19-11-27-52(47)51(45)46-40(56-39)26-24-38-44(46)48-34(20-12-28-53(48)51)50-42(30-15-5-2-6-16-30)32-18-8-10-22-36(32)55(38)50;1-2-11-25(12-3-1)36-28-14-5-7-17-31(28)46-32-20-22-33-38-37(32)40-29(41(36)46)15-10-24-45(40)43(38)39-34(48-33)21-19-27-26-13-4-6-16-30(26)47(42(27)39)35-18-8-9-23-44(35)43;1-21-23-9-3-5-13-27(23)44-29-15-17-31-35-33(29)39-25(37(21)44)11-7-19-42(39)41(35)36-32(46-31)18-16-30-34(36)40-26(12-8-20-43(40)41)38-22(2)24-10-4-6-14-28(24)45(30)38;1-21-22-9-2-4-12-26(22)41-28-16-18-29-33-32(28)36-25(35(21)41)11-8-20-40(36)38(33)34-30(43-29)17-15-24-23-10-3-5-13-27(23)42(37(24)34)31-14-6-7-19-39(31)38;1-2-10-22(11-3-1)31-23-12-4-5-16-27(23)40-28-18-19-30-34-32(28)35-25(36(31)40)14-9-21-39(35)37(34)33-24(13-8-17-29(33)41-30)26-15-6-7-20-38(26)37;1-18-19-8-2-3-12-23(19)35-24-14-15-26-29-27(24)31-21(30(18)35)10-7-17-34(31)32(29)28-20(9-6-13-25(28)36-26)22-11-4-5-16-33(22)32/h1-28H;1-24H;3-20H,1-2H3;2-20H,1H3;1-21H;2-17H,1H3/q6*+2.

What are the key properties of 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene has a molecular weight of 3449.91 g/mol, XLogP of 48.88, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12,36-dimethyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;12,36-diphenyl-24-oxa-19,29-diaza-6,42-diazoniatridecacyclo[23.19.0.02,6.02,42.03,23.04,20.05,10.011,19.013,18.028,44.029,37.030,35.038,43]tetratetraconta-1(25),3(23),4(20),5(10),6,8,11,13,15,17,21,26,28(44),30,32,34,36,38(43),39,41-icosaene;11-methyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-methyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;11-phenyl-23-oxa-18-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,9.010,18.012,17.028,35.029,34]pentatriaconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is sourced from PubChem (CID 157270091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).