3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

C218H129N25O9S+12 — CID 158320232

About 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (PubChem CID 158320232) has the molecular formula C218H129N25O9S+12 and a molecular weight of 3274.66 g/mol. Its IUPAC name is 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
• PubChem CID: 158320232
• Molecular Formula: C218H129N25O9S+12
• Molecular Weight: 3274.66 g/mol
• Exact Mass: 3272.01
• IUPAC Name: 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
• SMILES: O=S1(=O)c2ccccc2-c2ccc(-c3ccc4c5c3-n3ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)cc21.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5c5cn[n+]1n5c23)O4.c1ccc(-c2cc3c4c(c2)-n2ccc[n+]2C42c4c(ccc5c6ccccc6n(c45)-c4cccc[n+]42)O3)cc1.c1ccc(-c2ccc(-c3cc[n+]4n3-c3cccc5c3C43c4c(ccc6c7ccccc7n(c46)-c4cccc[n+]43)O5)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c5c3Oc3ccc6c7ccccc7n7c6c3C5([n+]3ccccc3-7)[n+]3cccn3-4)c2)cc1.c1ccc(-c2cnc(-c3cccc(-c4ccc5c6c4-c4cccc[n+]4C64c6c(cccc6-n6ccc[n+]64)O5)c3)o2)cc1
• InChI: InChI=1S/C39H22N4O3S.2C39H24N4O.C36H22N4O2.C33H20N4O.C32H17N5O/c44-47(45)32-11-4-2-9-26(32)27-14-13-23(22-33(27)47)24-15-17-30-35-37(24)41-20-7-21-42(41)39(35)36-31(46-30)18-16-28-25-8-1-3-10-29(25)43(38(28)36)34-12-5-6-19-40(34)39;1-2-10-25(11-3-1)26-12-8-13-27(24-26)28-17-19-32-35-38(28)44-33-20-18-30-29-14-4-5-15-31(29)43-34-16-6-7-21-40(34)39(35,36(33)37(30)43)42-23-9-22-41(32)42;1-2-9-25(10-3-1)26-16-18-27(19-17-26)30-22-24-41-39-36-32(43(30)41)13-8-14-33(36)44-34-21-20-29-28-11-4-5-12-31(28)42(38(29)37(34)39)35-15-6-7-23-40(35)39;1-2-9-23(10-3-1)31-22-37-35(42-31)25-12-6-11-24(21-25)26-16-17-30-34-32(26)27-13-4-5-18-38(27)36(34)33-28(14-7-15-29(33)41-30)39-19-8-20-40(36)39;1-2-9-21(10-3-1)22-19-26-30-28(20-22)38-27-15-14-24-23-11-4-5-12-25(23)37-29-13-6-7-16-34(29)33(30,31(27)32(24)37)36-18-8-17-35(26)36;1-2-8-19-18(7-1)21-12-14-26-29-31(21)36-24(19)17-33-37(36)32(29)28-25(38-26)15-13-22-20-9-3-4-10-23(20)35(30(22)28)27-11-5-6-16-34(27)32/h1-22H;2*1-24H;1-22H;1-20H;1-17H/q6*+2
• InChIKey: BMRHNJMXNIGXCL-UHFFFAOYSA-N
• XLogP: 39.62
• TPSA: 228.71 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3274.66
LogP ≤ 5	39.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'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 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

The IUPAC name of 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (CID 158320232) is 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is O=S1(=O)c2ccccc2-c2ccc(-c3ccc4c5c3-n3ccc[n+]3C53c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)cc21.c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(ccc3c5ccccc5c5cn[n+]1n5c23)O4.c1ccc(-c2cc3c4c(c2)-n2ccc[n+]2C42c4c(ccc5c6ccccc6n(c45)-c4cccc[n+]42)O3)cc1.c1ccc(-c2ccc(-c3cc[n+]4n3-c3cccc5c3C43c4c(ccc6c7ccccc7n(c46)-c4cccc[n+]43)O5)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c5c3Oc3ccc6c7ccccc7n7c6c3C5([n+]3ccccc3-7)[n+]3cccn3-4)c2)cc1.c1ccc(-c2cnc(-c3cccc(-c4ccc5c6c4-c4cccc[n+]4C64c6c(cccc6-n6ccc[n+]64)O5)c3)o2)cc1.

What is the InChIKey of 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

The InChIKey is BMRHNJMXNIGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O3S.2C39H24N4O.C36H22N4O2.C33H20N4O.C32H17N5O/c44-47(45)32-11-4-2-9-26(32)27-14-13-23(22-33(27)47)24-15-17-30-35-37(24)41-20-7-21-42(41)39(35)36-31(46-30)18-16-28-25-8-1-3-10-29(25)43(38(28)36)34-12-5-6-19-40(34)39;1-2-10-25(11-3-1)26-12-8-13-27(24-26)28-17-19-32-35-38(28)44-33-20-18-30-29-14-4-5-15-31(29)43-34-16-6-7-21-40(34)39(35,36(33)37(30)43)42-23-9-22-41(32)42;1-2-9-25(10-3-1)26-16-18-27(19-17-26)30-22-24-41-39-36-32(43(30)41)13-8-14-33(36)44-34-21-20-29-28-11-4-5-12-31(28)42(38(29)37(34)39)35-15-6-7-23-40(35)39;1-2-9-23(10-3-1)31-22-37-35(42-31)25-12-6-11-24(21-25)26-16-17-30-34-32(26)27-13-4-5-18-38(27)36(34)33-28(14-7-15-29(33)41-30)39-19-8-20-40(36)39;1-2-9-21(10-3-1)22-19-26-30-28(20-22)38-27-15-14-24-23-11-4-5-12-25(23)37-29-13-6-7-16-34(29)33(30,31(27)32(24)37)36-18-8-17-35(26)36;1-2-8-19-18(7-1)21-12-14-26-29-31(21)36-24(19)17-33-37(36)32(29)28-25(38-26)15-13-22-20-9-3-4-10-23(20)35(30(22)28)27-11-5-6-16-34(27)32/h1-22H;2*1-24H;1-22H;1-20H;1-17H/q6*+2.

What are the key properties of 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene has a molecular weight of 3274.66 g/mol, XLogP of 39.62, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7,9,11(32),13(30),14,16(31),17,19,21,24,26,28-tetradecaen-8-yl)dibenzothiophene 5,5-dioxide;19-oxa-4,6,30-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),5,7,9,11,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;9-phenyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;16-[3-(5-phenyl-1,3-oxazol-2-yl)phenyl]-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18,20,22-undecaene;5-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 158320232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).