4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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

C288H163N37O19+16 — CID 158178890

IUPAC4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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
SMILESCc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3nc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc5c(c4)oc4cccnc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5c(n4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4cnc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3nc(-c4cc5oc6ccccc6c5cn4)c[n+]31)O2
InChIInChI=1S/C41H26N4O2.C39H22N4O2.3C38H21N5O2.C32H18N4O3.2C31H17N5O3/c1-23-37(25-17-18-28-27-11-4-6-14-32(27)46-35(28)22-25)24(2)45-41-38-31(44(23)45)13-9-15-33(38)47-34-20-19-29-26-10-3-5-12-30(26)43(40(29)39(34)41)36-16-7-8-21-42(36)41;1-3-11-29-25(8-1)28-10-7-19-40-38(28)43(29)31-13-6-16-34-37(31)39(40)36-30(12-5-15-33(36)45-34)41-21-24(22-42(39)41)23-17-18-27-26-9-2-4-14-32(26)44-35(27)20-23;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)29-12-5-15-32-35(29)38(40)36-30(13-6-16-33(36)45-32)43-39-27(21-41(38)43)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)30-13-6-16-33-36(30)38(40)35-29(12-5-15-32(35)45-33)41-21-27(39-43(38)41)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-2-8-27-24(7-1)25-15-16-30-35-37(25)43(27)33-12-3-4-18-40(33)38(35)34-28(9-5-10-29(34)44-30)41-20-23(21-42(38)41)22-13-14-26-32(19-22)45-31-11-6-17-39-36(26)31;1-2-9-24-20(7-1)21-14-15-22(33-31(21)39-24)19-17-35-23-8-5-10-25-29(23)32(36(35)18-19)30-26(37-25)11-6-12-27(30)38-28-13-3-4-16-34(28)32;1-2-9-22-19(7-1)30-26(37-22)15-18(16-32-30)20-17-35-21-8-5-10-23-28(21)31(36(35)33-20)29-24(38-23)11-6-12-25(29)39-27-13-3-4-14-34(27)31;1-2-9-23-18(7-1)19-16-32-20(15-27(19)37-23)21-17-35-31-29-22(36(35)33-21)8-5-10-24(29)38-25-11-6-12-26(30(25)31)39-28-13-3-4-14-34(28)31/h3-22H,1-2H3;1-22H;3*1-21H;1-18H;2*1-17H/q8*+2
InChIKeyHRAICHKHKAMZHV-UHFFFAOYSA-N
MW4445.71 g/mol
LogP53.83
Rot. Bonds8

About 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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

4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 (PubChem CID 158178890) has the molecular formula C288H163N37O19+16 and a molecular weight of 4445.71 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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
PubChem CID158178890
Molecular FormulaC288H163N37O19+16
Molecular Weight4445.71 g/mol
Exact Mass4442.28
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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
SMILESCc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3nc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc5c(c4)oc4cccnc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5c(n4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4cnc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3nc(-c4cc5oc6ccccc6c5cn4)c[n+]31)O2
InChIInChI=1S/C41H26N4O2.C39H22N4O2.3C38H21N5O2.C32H18N4O3.2C31H17N5O3/c1-23-37(25-17-18-28-27-11-4-6-14-32(27)46-35(28)22-25)24(2)45-41-38-31(44(23)45)13-9-15-33(38)47-34-20-19-29-26-10-3-5-12-30(26)43(40(29)39(34)41)36-16-7-8-21-42(36)41;1-3-11-29-25(8-1)28-10-7-19-40-38(28)43(29)31-13-6-16-34-37(31)39(40)36-30(12-5-15-33(36)45-34)41-21-24(22-42(39)41)23-17-18-27-26-9-2-4-14-32(26)44-35(27)20-23;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)29-12-5-15-32-35(29)38(40)36-30(13-6-16-33(36)45-32)43-39-27(21-41(38)43)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)30-13-6-16-33-36(30)38(40)35-29(12-5-15-32(35)45-33)41-21-27(39-43(38)41)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-2-8-27-24(7-1)25-15-16-30-35-37(25)43(27)33-12-3-4-18-40(33)38(35)34-28(9-5-10-29(34)44-30)41-20-23(21-42(38)41)22-13-14-26-32(19-22)45-31-11-6-17-39-36(26)31;1-2-9-24-20(7-1)21-14-15-22(33-31(21)39-24)19-17-35-23-8-5-10-25-29(23)32(36(35)18-19)30-26(37-25)11-6-12-27(30)38-28-13-3-4-16-34(28)32;1-2-9-22-19(7-1)30-26(37-22)15-18(16-32-30)20-17-35-21-8-5-10-23-28(21)31(36(35)33-20)29-24(38-23)11-6-12-25(29)39-27-13-3-4-14-34(27)31;1-2-9-23-18(7-1)19-16-32-20(15-27(19)37-23)21-17-35-31-29-22(36(35)33-21)8-5-10-24(29)38-25-11-6-12-26(30(25)31)39-28-13-3-4-14-34(28)31/h3-22H,1-2H3;1-22H;3*1-21H;1-18H;2*1-17H/q8*+2
InChIKeyHRAICHKHKAMZHV-UHFFFAOYSA-N
XLogP53.83
TPSA435.94 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds8
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004445.71
LogP ≤ 553.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 (CID 158178890) is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 is Cc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3nc(-c4ccc5c(c4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc5c(c4)oc4cccnc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc5c(n4)oc4ccccc45)c[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4cnc5c(c4)oc4ccccc45)n[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3nc(-c4cc5oc6ccccc6c5cn4)c[n+]31)O2.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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?
The InChIKey is HRAICHKHKAMZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O2.C39H22N4O2.3C38H21N5O2.C32H18N4O3.2C31H17N5O3/c1-23-37(25-17-18-28-27-11-4-6-14-32(27)46-35(28)22-25)24(2)45-41-38-31(44(23)45)13-9-15-33(38)47-34-20-19-29-26-10-3-5-12-30(26)43(40(29)39(34)41)36-16-7-8-21-42(36)41;1-3-11-29-25(8-1)28-10-7-19-40-38(28)43(29)31-13-6-16-34-37(31)39(40)36-30(12-5-15-33(36)45-34)41-21-24(22-42(39)41)23-17-18-27-26-9-2-4-14-32(26)44-35(27)20-23;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)29-12-5-15-32-35(29)38(40)36-30(13-6-16-33(36)45-32)43-39-27(21-41(38)43)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-3-11-28-23(8-1)26-10-7-19-40-37(26)42(28)30-13-6-16-33-36(30)38(40)35-29(12-5-15-32(35)45-33)41-21-27(39-43(38)41)22-17-18-25-24-9-2-4-14-31(24)44-34(25)20-22;1-2-8-27-24(7-1)25-15-16-30-35-37(25)43(27)33-12-3-4-18-40(33)38(35)34-28(9-5-10-29(34)44-30)41-20-23(21-42(38)41)22-13-14-26-32(19-22)45-31-11-6-17-39-36(26)31;1-2-9-24-20(7-1)21-14-15-22(33-31(21)39-24)19-17-35-23-8-5-10-25-29(23)32(36(35)18-19)30-26(37-25)11-6-12-27(30)38-28-13-3-4-16-34(28)32;1-2-9-22-19(7-1)30-26(37-22)15-18(16-32-30)20-17-35-21-8-5-10-23-28(21)31(36(35)33-20)29-24(38-23)11-6-12-25(29)39-27-13-3-4-14-34(27)31;1-2-9-23-18(7-1)19-16-32-20(15-27(19)37-23)21-17-35-31-29-22(36(35)33-21)8-5-10-24(29)38-25-11-6-12-26(30(25)31)39-28-13-3-4-14-34(28)31/h3-22H,1-2H3;1-22H;3*1-21H;1-18H;2*1-17H/q8*+2.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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?
4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 has a molecular weight of 4445.71 g/mol, XLogP of 53.83, 8 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-3-yl)-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-undecaene;4-([1]benzofuro[3,2-b]pyridin-7-yl)-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;4-([1]benzofuro[3,2-c]pyridin-3-yl)-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-undecaene;4-dibenzofuran-3-yl-3,5-dimethyl-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;4-dibenzofuran-3-yl-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-dibenzofuran-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-dibenzofuran-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 is sourced from PubChem (CID 158178890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).