23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene

C189H100N22O5+10 — CID 157452025

About 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene

23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene (PubChem CID 157452025) has the molecular formula C189H100N22O5+10 and a molecular weight of 2759.03 g/mol. Its IUPAC name is 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene.

Molecular Properties

• Compound Name: 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene
• PubChem CID: 157452025
• Molecular Formula: C189H100N22O5+10
• Molecular Weight: 2759.03 g/mol
• Exact Mass: 2756.82
• IUPAC Name: 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene
• SMILES: c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ccccc6nc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ncccc6cc5n5c6ccccc6[n+]1c5c34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2n(c5ccccc5[n+]21)c1c2ccccc2c2ccccc2c31)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cc6ccccc6cc5n5c6ccccc6[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5n5c6ccccc6[n+]1c5c23)O4
• InChI: InChI=1S/C45H24N4O.C41H22N4O.C37H20N4O.2C33H17N5O/c1-3-14-28-25(11-1)26-12-2-4-15-29(26)42-38(28)31-21-23-35-40-39(31)44-48(42)33-17-7-8-18-34(33)49(44)45(40)41-36(50-35)22-20-30-27-13-5-6-16-32(27)47(43(30)41)37-19-9-10-24-46(37)45;1-2-10-24-22-32-28(21-23(24)9-1)26-16-18-33-37-36(26)40-43(32)30-13-5-6-14-31(30)45(40)41(37)38-34(46-33)19-17-27-25-11-3-4-12-29(25)44(39(27)38)35-15-7-8-20-42(35)41;1-3-11-25-21(9-1)23-16-18-29-33-32(23)36-39(25)27-13-5-6-14-28(27)41(36)37(33)34-30(42-29)19-17-24-22-10-2-4-12-26(22)40(35(24)34)31-15-7-8-20-38(31)37;1-2-11-23-22(10-1)37-24-17-18-7-6-15-34-31(18)35-30(24)20-13-14-26-29-27(20)32(37)38(23)33(29)28-19(8-5-12-25(28)39-26)21-9-3-4-16-36(21)33;1-2-10-21-20(9-1)34-30-19-15-16-26-29-27(19)32-37(31(30)35-21)23-12-3-4-13-24(23)38(32)33(29)28-18(8-7-14-25(28)39-26)22-11-5-6-17-36(22)33/h1-24H;1-22H;1-20H;2*1-17H/q5*+2
• InChIKey: YOFBJPJSVQBMCJ-UHFFFAOYSA-N
• XLogP: 35.99
• TPSA: 173.35 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2759.03
LogP ≤ 5	35.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene?

The IUPAC name of 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene (CID 157452025) is 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene.

What is the SMILES notation for 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene?

The canonical SMILES for 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene is c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ccccc6nc5n5c6ccccc6[n+]1c5c34)O2.c1cc2c3c(c1)-c1cccc[n+]1C31c3c(ccc4c5nc6ncccc6cc5n5c6ccccc6[n+]1c5c34)O2.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c2c2n(c5ccccc5[n+]21)c1c2ccccc2c2ccccc2c31)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5cc6ccccc6cc5n5c6ccccc6[n+]1c5c23)O4.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5n5c6ccccc6[n+]1c5c23)O4.

What is the InChIKey of 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene?

The InChIKey is YOFBJPJSVQBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24N4O.C41H22N4O.C37H20N4O.2C33H17N5O/c1-3-14-28-25(11-1)26-12-2-4-15-29(26)42-38(28)31-21-23-35-40-39(31)44-48(42)33-17-7-8-18-34(33)49(44)45(40)41-36(50-35)22-20-30-27-13-5-6-16-32(27)47(43(30)41)37-19-9-10-24-46(37)45;1-2-10-24-22-32-28(21-23(24)9-1)26-16-18-33-37-36(26)40-43(32)30-13-5-6-14-31(30)45(40)41(37)38-34(46-33)19-17-27-25-11-3-4-12-29(25)44(39(27)38)35-15-7-8-20-42(35)41;1-3-11-25-21(9-1)23-16-18-29-33-32(23)36-39(25)27-13-5-6-14-28(27)41(36)37(33)34-30(42-29)19-17-24-22-10-2-4-12-26(22)40(35(24)34)31-15-7-8-20-38(31)37;1-2-11-23-22(10-1)37-24-17-18-7-6-15-34-31(18)35-30(24)20-13-14-26-29-27(20)32(37)38(23)33(29)28-19(8-5-12-25(28)39-26)21-9-3-4-16-36(21)33;1-2-10-21-20(9-1)34-30-19-15-16-26-29-27(19)32-37(31(30)35-21)23-12-3-4-13-24(23)38(32)33(29)28-18(8-7-14-25(28)39-26)22-11-5-6-17-36(22)33/h1-24H;1-22H;1-20H;2*1-17H/q5*+2.

What are the key properties of 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene?

23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene has a molecular weight of 2759.03 g/mol, XLogP of 35.99, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 23-oxa-12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;31-oxa-12,42-diaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,12.06,11.013,26.014,19.020,25.032,49.036,41.042,50.043,48]pentaconta-2(30),3(27),4,6,8,10,13(26),14,16,18,20,22,24,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene;27-oxa-12,38-diaza-5,44-diazoniatridecacyclo[29.13.2.01,5.02,26.03,23.04,12.06,11.013,22.015,20.028,45.032,37.038,46.039,44]hexatetraconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28(45),29,31(46),32,34,36,39,41,43-henicosaene;27-oxa-12,14,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13,15,17,19,21,24,28,30,32(39),33,35,37-octadecaene;27-oxa-12,19,21-triaza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,12.06,11.013,22.015,20.032,39.033,38]nonatriaconta-2(26),3(23),4,6,8,10,13(22),14,16,18,20,24,28,30,32(39),33,35,37-octadecaene is sourced from PubChem (CID 157452025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).