4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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
C155H98N18O9+8 — CID 159984044
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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
SMILESCc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3c(c2)oc2ccccc23)nn2[n+]1C13c4c(cccc4-n4c5ccccc5c5ccc[n+]1c54)Oc1cccc-2c13.Cc1c(-c2cnc3c(c2)oc2ccccc23)n[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2c(oc3ccccc32)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13
InChIInChI=1S/C43H30N4O2.C41H26N4O2.C39H23N5O2.C32H19N5O3/c1-23-22-30-28-13-6-8-16-33(28)49-42(30)24(2)37(23)38-25(3)46-32-15-11-17-34-39(32)43(47(46)26(38)4)40-35(48-34)20-19-29-27-12-5-7-14-31(27)45(41(29)40)36-18-9-10-21-44(36)43;1-23-37(25-19-20-28-27-11-4-6-16-33(27)46-36(28)22-25)24(2)45-41-38-31(14-7-17-34(38)47-35-18-8-15-32(39(35)41)44(23)45)43-30-13-5-3-10-26(30)29-12-9-21-42(41)40(29)43;1-22-37(23-18-19-26-25-10-3-5-15-31(25)45-34(26)21-23)40-44-30-14-7-17-33-36(30)39(43(22)44)35-29(13-6-16-32(35)46-33)42-28-12-4-2-9-24(28)27-11-8-20-41(39)38(27)42;1-18-30(19-16-26-31(33-17-19)20-8-2-3-10-22(20)38-26)34-37-32-28-21(36(18)37)9-6-11-23(28)39-24-12-7-13-25(29(24)32)40-27-14-4-5-15-35(27)32/h5-22H,1-4H3;3-22H,1-2H3;2-21H,1H3;2-17H,1H3/q4*+2
InChIKeyDANJYLUTFIFWOF-UHFFFAOYSA-N
MW2356.61 g/mol
LogP30.33
Rot. Bonds4
About 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 (PubChem CID 159984044) has the molecular formula C155H98N18O9+8 and a molecular weight of 2356.61 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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.
Molecular Properties
| Compound Name | 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 |
|---|---|
| PubChem CID | 159984044 |
| Molecular Formula | C155H98N18O9+8 |
| Molecular Weight | 2356.61 g/mol |
| Exact Mass | 2354.77 |
| IUPAC Name | 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 |
| SMILES | Cc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3c(c2)oc2ccccc23)nn2[n+]1C13c4c(cccc4-n4c5ccccc5c5ccc[n+]1c54)Oc1cccc-2c13.Cc1c(-c2cnc3c(c2)oc2ccccc23)n[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2c(oc3ccccc32)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13 |
| InChI | InChI=1S/C43H30N4O2.C41H26N4O2.C39H23N5O2.C32H19N5O3/c1-23-22-30-28-13-6-8-16-33(28)49-42(30)24(2)37(23)38-25(3)46-32-15-11-17-34-39(32)43(47(46)26(38)4)40-35(48-34)20-19-29-27-12-5-7-14-31(27)45(41(29)40)36-18-9-10-21-44(36)43;1-23-37(25-19-20-28-27-11-4-6-16-33(27)46-36(28)22-25)24(2)45-41-38-31(14-7-17-34(38)47-35-18-8-15-32(39(35)41)44(23)45)43-30-13-5-3-10-26(30)29-12-9-21-42(41)40(29)43;1-22-37(23-18-19-26-25-10-3-5-15-31(25)45-34(26)21-23)40-44-30-14-7-17-33-36(30)39(43(22)44)35-29(13-6-16-32(35)46-33)42-28-12-4-2-9-24(28)27-11-8-20-41(39)38(27)42;1-18-30(19-16-26-31(33-17-19)20-8-2-3-10-22(20)38-26)34-37-32-28-21(36(18)37)9-6-11-23(28)39-24-12-7-13-25(29(24)32)40-27-14-4-5-15-35(27)32/h5-22H,1-4H3;3-22H,1-2H3;2-21H,1H3;2-17H,1H3/q4*+2 |
| InChIKey | DANJYLUTFIFWOF-UHFFFAOYSA-N |
| XLogP | 30.33 |
| TPSA | 202.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 182 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2356.61 |
| LogP ≤ 5 | 30.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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?
The IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 (CID 159984044) is 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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?
The canonical SMILES for 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 is Cc1c(-c2ccc3c(c2)oc2ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc3c(c2)oc2ccccc23)nn2[n+]1C13c4c(cccc4-n4c5ccccc5c5ccc[n+]1c54)Oc1cccc-2c13.Cc1c(-c2cnc3c(c2)oc2ccccc23)n[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.Cc1cc2c(oc3ccccc32)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.
What is the InChIKey of 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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?
The InChIKey is DANJYLUTFIFWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O2.C41H26N4O2.C39H23N5O2.C32H19N5O3/c1-23-22-30-28-13-6-8-16-33(28)49-42(30)24(2)37(23)38-25(3)46-32-15-11-17-34-39(32)43(47(46)26(38)4)40-35(48-34)20-19-29-27-12-5-7-14-31(27)45(41(29)40)36-18-9-10-21-44(36)43;1-23-37(25-19-20-28-27-11-4-6-16-33(27)46-36(28)22-25)24(2)45-41-38-31(14-7-17-34(38)47-35-18-8-15-32(39(35)41)44(23)45)43-30-13-5-3-10-26(30)29-12-9-21-42(41)40(29)43;1-22-37(23-18-19-26-25-10-3-5-15-31(25)45-34(26)21-23)40-44-30-14-7-17-33-36(30)39(43(22)44)35-29(13-6-16-32(35)46-33)42-28-12-4-2-9-24(28)27-11-8-20-41(39)38(27)42;1-18-30(19-16-26-31(33-17-19)20-8-2-3-10-22(20)38-26)34-37-32-28-21(36(18)37)9-6-11-23(28)39-24-12-7-13-25(29(24)32)40-27-14-4-5-15-35(27)32/h5-22H,1-4H3;3-22H,1-2H3;2-21H,1H3;2-17H,1H3/q4*+2.
What are the key properties of 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 has a molecular weight of 2356.61 g/mol, XLogP of 30.33, 4 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-b]pyridin-3-yl)-5-methyl-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-dibenzofuran-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-dibenzofuran-3-yl-3-methyl-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-(2,4-dimethyldibenzofuran-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 is sourced from PubChem (CID 159984044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159984044 — identifiers, structure, computed properties (public domain)
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