25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene

C281H142N32O7+14 — CID 159171297

About 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene

25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene (PubChem CID 159171297) has the molecular formula C281H142N32O7+14 and a molecular weight of 4078.44 g/mol. Its IUPAC name is 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene.

Molecular Properties

• Compound Name: 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene
• PubChem CID: 159171297
• Molecular Formula: C281H142N32O7+14
• Molecular Weight: 4078.44 g/mol
• Exact Mass: 4075.17
• IUPAC Name: 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene
• SMILES: c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5cccnc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ccncc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5cnccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ncccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2n2c1cc1ccc[n+](c12)C41c2c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2cc3c(cc2c1)c1ccc2c4c1n1c3cc3ccc[n+](c31)C41c3c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c34)O2
• InChI: InChI=1S/C47H24N4O.C43H22N4O.C39H20N4O.4C38H19N5O/c1-4-14-30-29(13-1)33-17-19-37-41-43(33)50-35(30)23-25-9-7-21-48(45(25)50)47(41)42-38(52-37)20-18-34-39-31-15-5-2-11-27(31)28-12-3-6-16-32(28)40(39)36-24-26-10-8-22-49(47)46(26)51(36)44(34)42;1-2-8-24-20-32-31(19-23(24)7-1)30-14-16-36-38-40(30)47-34(32)22-26-10-6-18-45(42(26)47)43(38)37-35(48-36)15-13-29-27-11-3-4-12-28(27)33-21-25-9-5-17-44(43)41(25)46(33)39(29)37;1-3-11-25-23(9-1)27-13-15-31-33-35(27)42-29(25)19-21-7-5-17-40(37(21)42)39(33)34-32(44-31)16-14-28-24-10-2-4-12-26(24)30-20-22-8-6-18-41(39)38(22)43(30)36(28)34;1-2-9-23-22(8-1)24-11-13-29-31-34(24)42-27(23)18-20-6-4-16-40(36(20)42)38(31)32-30(44-29)14-12-26-33-25(10-3-15-39-33)28-19-21-7-5-17-41(38)37(21)43(28)35(26)32;1-2-9-23-22(8-1)25-11-13-29-31-34(25)42-27(23)18-20-6-4-16-40(36(20)42)38(31)32-30(44-29)14-12-26-24-10-3-15-39-33(24)28-19-21-7-5-17-41(38)37(21)43(28)35(26)32;1-2-8-24-22(7-1)25-9-11-30-32-34(25)42-28(24)17-20-5-3-15-40(36(20)42)38(32)33-31(44-30)12-10-26-23-13-14-39-19-27(23)29-18-21-6-4-16-41(38)37(21)43(29)35(26)33;1-2-8-23-22(7-1)25-9-11-30-32-34(25)42-28(23)17-20-5-3-15-40(36(20)42)38(32)33-31(44-30)12-10-26-27-19-39-14-13-24(27)29-18-21-6-4-16-41(38)37(21)43(29)35(26)33/h1-24H;1-22H;1-20H;4*1-19H/q7*+2
• InChIKey: COUQGSKMFGFHKZ-UHFFFAOYSA-N
• XLogP: 55.05
• TPSA: 232.23 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4078.44
LogP ≤ 5	55.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene?

The IUPAC name of 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene (CID 159171297) is 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene.

What is the SMILES notation for 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene?

The canonical SMILES for 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene is c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5cccnc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ccncc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5cnccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccc3c4c1n1c2cc2ccc[n+](c21)C41c2c(ccc4c5ncccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2c(c1)c1ccccc1c1c2c2ccc3c4c2n2c1cc1ccc[n+](c12)C41c2c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c24)O3.c1ccc2cc3c(cc2c1)c1ccc2c4c1n1c3cc3ccc[n+](c31)C41c3c(ccc4c5ccccc5c5cc6ccc[n+]1c6n5c34)O2.

What is the InChIKey of 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene?

The InChIKey is COUQGSKMFGFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H24N4O.C43H22N4O.C39H20N4O.4C38H19N5O/c1-4-14-30-29(13-1)33-17-19-37-41-43(33)50-35(30)23-25-9-7-21-48(45(25)50)47(41)42-38(52-37)20-18-34-39-31-15-5-2-11-27(31)28-12-3-6-16-32(28)40(39)36-24-26-10-8-22-49(47)46(26)51(36)44(34)42;1-2-8-24-20-32-31(19-23(24)7-1)30-14-16-36-38-40(30)47-34(32)22-26-10-6-18-45(42(26)47)43(38)37-35(48-36)15-13-29-27-11-3-4-12-28(27)33-21-25-9-5-17-44(43)41(25)46(33)39(29)37;1-3-11-25-23(9-1)27-13-15-31-33-35(27)42-29(25)19-21-7-5-17-40(37(21)42)39(33)34-32(44-31)16-14-28-24-10-2-4-12-26(24)30-20-22-8-6-18-41(39)38(22)43(30)36(28)34;1-2-9-23-22(8-1)24-11-13-29-31-34(24)42-27(23)18-20-6-4-16-40(36(20)42)38(31)32-30(44-29)14-12-26-33-25(10-3-15-39-33)28-19-21-7-5-17-41(38)37(21)43(28)35(26)32;1-2-9-23-22(8-1)25-11-13-29-31-34(25)42-27(23)18-20-6-4-16-40(36(20)42)38(31)32-30(44-29)14-12-26-24-10-3-15-39-33(24)28-19-21-7-5-17-41(38)37(21)43(28)35(26)32;1-2-8-24-22(7-1)25-9-11-30-32-34(25)42-28(24)17-20-5-3-15-40(36(20)42)38(32)33-31(44-30)12-10-26-23-13-14-39-19-27(23)29-18-21-6-4-16-41(38)37(21)43(29)35(26)33;1-2-8-23-22(7-1)25-9-11-30-32-34(25)42-28(23)17-20-5-3-15-40(36(20)42)38(32)33-31(44-30)12-10-26-27-19-39-14-13-24(27)29-18-21-6-4-16-41(38)37(21)43(29)35(26)33/h1-24H;1-22H;1-20H;4*1-19H/q7*+2.

What are the key properties of 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene?

25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene has a molecular weight of 4078.44 g/mol, XLogP of 55.05, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 25-oxa-6,52-diaza-8,50-diazoniapentadecacyclo[27.23.0.02,26.03,8.03,50.04,24.05,21.06,14.07,12.015,20.030,43.031,36.037,42.044,52.046,51]dopentaconta-1(29),2(26),4(24),5(21),7(12),8,10,13,15,17,19,22,27,30(43),31,33,35,37,39,41,44,46(51),47,49-tetracosaene;24-oxa-5,47-diaza-7,45-diazoniatetradecacyclo[23.23.0.02,7.02,45.03,23.04,20.05,13.06,11.014,19.028,48.029,38.031,36.039,47.041,46]octatetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(48),29,31,33,35,37,39,41(46),42,44-docosaene;24-oxa-5,43-diaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14,16,18,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,15,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,16,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,17,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene;24-oxa-5,18,43-triaza-7,41-diazoniatridecacyclo[23.19.0.02,7.02,41.03,23.04,20.05,13.06,11.014,19.028,44.029,34.035,43.037,42]tetratetraconta-1(25),3(23),4(20),6(11),7,9,12,14(19),15,17,21,26,28(44),29,31,33,35,37(42),38,40-icosaene is sourced from PubChem (CID 159171297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).