23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene

C200H104N34O6+12 — CID 158600939

About 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene

23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene (PubChem CID 158600939) has the molecular formula C200H104N34O6+12 and a molecular weight of 3079.26 g/mol. Its IUPAC name is 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene.

Molecular Properties

• Compound Name: 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene
• PubChem CID: 158600939
• Molecular Formula: C200H104N34O6+12
• Molecular Weight: 3079.26 g/mol
• Exact Mass: 3076.88
• IUPAC Name: 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene
• SMILES: c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccncc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cnncc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ccccc6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ccccc6nc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ncccc6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nccnc5n5cc[n+]1c5c23)O4
• InChI: InChI=1S/C36H19N5O.2C35H18N6O.C32H17N5O.2C31H16N6O/c1-3-9-24-20(7-1)19-26-33(37-24)23-13-15-27-31-30(23)35-38(26)17-18-40(35)36(31)32-28(42-27)14-12-22-21-8-2-4-10-25(21)41(34(22)32)29-11-5-6-16-39(29)36;1-4-10-24-19(7-1)20-12-14-26-30-32(20)41(24)27-11-5-6-16-39(27)35(30)29-25(42-26)15-13-21-28(29)34-38(17-18-40(34)35)33-31(21)36-22-8-2-3-9-23(22)37-33;1-2-8-23-20(7-1)21-10-12-26-30-32(21)41(23)27-9-3-4-15-39(27)35(30)29-25(42-26)13-11-22-28(29)34-38(16-17-40(34)35)24-18-19-6-5-14-36-33(19)37-31(22)24;1-2-6-22-18(5-1)21-9-11-25-29-30(21)37(22)26-7-3-4-14-35(26)32(29)28-24(38-25)10-8-20-19-12-13-33-17-23(19)34-15-16-36(32)31(34)27(20)28;1-2-6-20-17(5-1)18-8-10-22-26-28(18)37(20)23-7-3-4-14-35(23)31(26)25-21(38-22)11-9-19-24(25)30-34(15-16-36(30)31)29-27(19)32-12-13-33-29;1-2-6-21-17(5-1)19-9-11-24-28-29(19)37(21)25-7-3-4-12-35(25)31(28)27-23(38-24)10-8-18-20-15-32-33-16-22(20)34-13-14-36(31)30(34)26(18)27/h1-19H;2*1-18H;1-17H;2*1-16H/q6*+2
• InChIKey: HRKMYGNOVULBPS-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 286.88 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3079.26
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene?

The IUPAC name of 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene (CID 158600939) is 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene.

What is the SMILES notation for 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene?

The canonical SMILES for 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene is c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccncc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cnncc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ccccc6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ccccc6nc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nc6ncccc6cc5n5cc[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5nccnc5n5cc[n+]1c5c23)O4.

What is the InChIKey of 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene?

The InChIKey is HRKMYGNOVULBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N5O.2C35H18N6O.C32H17N5O.2C31H16N6O/c1-3-9-24-20(7-1)19-26-33(37-24)23-13-15-27-31-30(23)35-38(26)17-18-40(35)36(31)32-28(42-27)14-12-22-21-8-2-4-10-25(21)41(34(22)32)29-11-5-6-16-39(29)36;1-4-10-24-19(7-1)20-12-14-26-30-32(20)41(24)27-11-5-6-16-39(27)35(30)29-25(42-26)15-13-21-28(29)34-38(17-18-40(34)35)33-31(21)36-22-8-2-3-9-23(22)37-33;1-2-8-23-20(7-1)21-10-12-26-30-32(21)41(23)27-9-3-4-15-39(27)35(30)29-25(42-26)13-11-22-28(29)34-38(16-17-40(34)35)24-18-19-6-5-14-36-33(19)37-31(22)24;1-2-6-22-18(5-1)21-9-11-25-29-30(21)37(22)26-7-3-4-14-35(26)32(29)28-24(38-25)10-8-20-19-12-13-33-17-23(19)34-15-16-36(32)31(34)27(20)28;1-2-6-20-17(5-1)18-8-10-22-26-28(18)37(20)23-7-3-4-14-35(23)31(26)25-21(38-22)11-9-19-24(25)30-34(15-16-36(30)31)29-27(19)32-12-13-33-29;1-2-6-21-17(5-1)19-9-11-24-28-29(19)37(21)25-7-3-4-12-35(25)31(28)27-23(38-24)10-8-18-20-15-32-33-16-22(20)34-13-14-36(31)30(34)26(18)27/h1-19H;2*1-18H;1-17H;2*1-16H/q6*+2.

What are the key properties of 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene?

23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene has a molecular weight of 3079.26 g/mol, XLogP of 33.10, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,10,13,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;19-oxa-8,11,12,30-tetraza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;19-oxa-8,11,30-triaza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,8.09,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4,6,9(14),10,12,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene is sourced from PubChem (CID 158600939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).