4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide

C214H123N25O15S6+12 — CID 159288056

About 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide

4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide (PubChem CID 159288056) has the molecular formula C214H123N25O15S6+12 and a molecular weight of 3476.90 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

• Compound Name: 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide
• PubChem CID: 159288056
• Molecular Formula: C214H123N25O15S6+12
• Molecular Weight: 3476.90 g/mol
• Exact Mass: 3473.79
• IUPAC Name: 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide
• SMILES: Cc1c(-c2ccc3c(c2)sc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.O=S1(=O)c2ccccc2-c2ccc(-c3c[n+]4n(n3)-c3cccc5c3C43c4c(cccc4Oc4cccc[n+]43)O5)cc21.O=S1(=O)c2ccccc2-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6Oc6cccc[n+]63)Oc3cccc-4c35)cc21.O=S1(=O)c2ccccc2-c2ccc(-c3cn4[n+](n3)C35c6c(cccc6Oc6cccc[n+]63)Oc3cccc-4c35)cc21.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)sc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3nc(-c4ccc5c(c4)sc4ccccc45)c[n+]31)O2
• InChI: InChI=1S/C41H26N4OS.2C38H21N5OS.C33H19N3O4S.2C32H18N4O4S/c1-23-37(25-19-20-28-27-11-4-6-18-35(27)47-36(28)22-25)24(2)45-41-38-31(14-7-16-33(38)46-34-17-8-15-32(39(34)41)44(23)45)43-30-13-5-3-10-26(30)29-12-9-21-42(41)40(29)43;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)29-12-5-14-31-35(29)38(40)36-30(13-6-15-32(36)44-31)43-39-27(21-41(38)43)22-17-18-25-24-9-2-4-16-33(24)45-34(25)20-22;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)30-13-6-15-32-36(30)38(40)35-29(12-5-14-31(35)44-32)41-21-27(39-43(38)41)22-17-18-25-24-9-2-4-16-33(24)45-34(25)20-22;37-41(38)28-12-2-1-7-22(28)23-15-14-20(17-29(23)41)21-18-35-24-8-5-9-25-31(24)33(36(35)19-21)32-26(39-25)10-6-11-27(32)40-30-13-3-4-16-34(30)33;37-41(38)27-12-2-1-7-20(27)21-15-14-19(17-28(21)41)22-18-35-32-30-23(36(35)33-22)8-5-9-24(30)39-25-10-6-11-26(31(25)32)40-29-13-3-4-16-34(29)32;37-41(38)27-12-2-1-7-20(27)21-15-14-19(17-28(21)41)22-18-35-23-8-5-9-24-30(23)32(36(35)33-22)31-25(39-24)10-6-11-26(31)40-29-13-3-4-16-34(29)32/h3-22H,1-2H3;2*1-21H;1-19H;2*1-18H/q6*+2
• InChIKey: PDHIOOQZDDWQKQ-UHFFFAOYSA-N
• XLogP: 38.91
• TPSA: 327.98 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 6
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3476.90
LogP ≤ 5	38.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide?

The IUPAC name of 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide (CID 159288056) is 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide.

What is the SMILES notation for 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide?

The canonical SMILES for 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide is Cc1c(-c2ccc3c(c2)sc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.O=S1(=O)c2ccccc2-c2ccc(-c3c[n+]4n(n3)-c3cccc5c3C43c4c(cccc4Oc4cccc[n+]43)O5)cc21.O=S1(=O)c2ccccc2-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6Oc6cccc[n+]63)Oc3cccc-4c35)cc21.O=S1(=O)c2ccccc2-c2ccc(-c3cn4[n+](n3)C35c6c(cccc6Oc6cccc[n+]63)Oc3cccc-4c35)cc21.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)sc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3nc(-c4ccc5c(c4)sc4ccccc45)c[n+]31)O2.

What is the InChIKey of 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide?

The InChIKey is PDHIOOQZDDWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4OS.2C38H21N5OS.C33H19N3O4S.2C32H18N4O4S/c1-23-37(25-19-20-28-27-11-4-6-18-35(27)47-36(28)22-25)24(2)45-41-38-31(14-7-16-33(38)46-34-17-8-15-32(39(34)41)44(23)45)43-30-13-5-3-10-26(30)29-12-9-21-42(41)40(29)43;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)29-12-5-14-31-35(29)38(40)36-30(13-6-15-32(36)44-31)43-39-27(21-41(38)43)22-17-18-25-24-9-2-4-16-33(24)45-34(25)20-22;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)30-13-6-15-32-36(30)38(40)35-29(12-5-14-31(35)44-32)41-21-27(39-43(38)41)22-17-18-25-24-9-2-4-16-33(24)45-34(25)20-22;37-41(38)28-12-2-1-7-22(28)23-15-14-20(17-29(23)41)21-18-35-24-8-5-9-25-31(24)33(36(35)19-21)32-26(39-25)10-6-11-27(32)40-30-13-3-4-16-34(30)33;37-41(38)27-12-2-1-7-20(27)21-15-14-19(17-28(21)41)22-18-35-32-30-23(36(35)33-22)8-5-9-24(30)39-25-10-6-11-26(31(25)32)40-29-13-3-4-16-34(29)32;37-41(38)27-12-2-1-7-20(27)21-15-14-19(17-28(21)41)22-18-35-23-8-5-9-24-30(23)32(36(35)33-22)31-25(39-24)10-6-11-26(31)40-29-13-3-4-16-34(29)32/h3-22H,1-2H3;2*1-21H;1-19H;2*1-18H/q6*+2.

What are the key properties of 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide?

4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 3476.90 g/mol, XLogP of 38.91, 6 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzothiophen-3-yl-3,5-dimethyl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-3,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-dibenzothiophen-3-yl-12-oxa-5,6,18-triaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3-(12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-3,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide;3-(12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaen-4-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 159288056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).