C233H141N16O10PS — CID 157270821
8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]pyridine;8-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;9-[3-bis(3-carbazol-9-ylphenyl)phosphorylphenyl]carbazole;8-(4-carbazol-9-yl-2,6-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 157270821) has the molecular formula C233H141N16O10PS and a molecular weight of 3387.83 g/mol. Its IUPAC name is 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]pyridine;8-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;9-[3-bis(3-carbazol-9-ylphenyl)phosphorylphenyl]carbazole;8-(4-carbazol-9-yl-2,6-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridine.
| Compound Name | 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]pyridine;8-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;9-[3-bis(3-carbazol-9-ylphenyl)phosphorylphenyl]carbazole;8-(4-carbazol-9-yl-2,6-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridine |
|---|---|
| PubChem CID | 157270821 |
| Molecular Formula | C233H141N16O10PS |
| Molecular Weight | 3387.83 g/mol |
| Exact Mass | 3385.05 |
| IUPAC Name | 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]pyridine;8-[6-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine;8-[3,5-bis([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;9-[3-bis(3-carbazol-9-ylphenyl)phosphorylphenyl]carbazole;8-(4-carbazol-9-yl-2,6-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridine |
| SMILES | Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1-c1ccc2oc3cccnc3c2c1.O=P(c1cccc(-n2c3ccccc3c3ccccc32)c1)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccc(-c4ccc5oc6cccnc6c5c4)cc3c3cc(-c4ccc5oc6cccnc6c5c4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)ccnc3c2c1.c1cnc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6cccnc6c5c4)cc(-c4ccc5oc6cccnc6c5c4)c3)cc12.c1cnc2c(c1)oc1ccc(-c3ccc4sc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)cc12 |
| InChI | InChI=1S/C54H36N3OP.C40H23N3O2.C39H21N3O3.C35H21N3O.C34H18N2O2S.C31H22N2O/c58-59(40-19-13-16-37(34-40)55-49-28-7-1-22-43(49)44-23-2-8-29-50(44)55,41-20-14-17-38(35-41)56-51-30-9-3-24-45(51)46-25-4-10-31-52(46)56)42-21-15-18-39(36-42)57-53-32-11-5-26-47(53)48-27-6-12-33-54(48)57;1-2-6-28(7-3-1)43-33-14-10-24(26-12-16-35-31(22-26)39-37(44-35)8-4-18-41-39)20-29(33)30-21-25(11-15-34(30)43)27-13-17-36-32(23-27)40-38(45-36)9-5-19-42-40;1-4-34-37(40-13-1)28-19-22(7-10-31(28)43-34)25-16-26(23-8-11-32-29(20-23)38-35(44-32)5-2-14-41-38)18-27(17-25)24-9-12-33-30(21-24)39-36(45-33)6-3-15-42-39;1-5-13-28-23(9-1)24-10-2-6-14-29(24)37(28)22-17-18-33-27(21-22)34-35(39-33)32(19-20-36-34)38-30-15-7-3-11-25(30)26-12-4-8-16-31(26)38;1-3-29-33(35-13-1)25-17-19(5-9-27(25)37-29)21-7-11-31-23(15-21)24-16-22(8-12-32(24)39-31)20-6-10-28-26(18-20)34-30(38-28)4-2-14-36-34;1-19-16-22(33-26-10-5-3-8-23(26)24-9-4-6-11-27(24)33)17-20(2)30(19)21-13-14-28-25(18-21)31-29(34-28)12-7-15-32-31/h1-36H;1-23H;1-21H;1-21H;1-18H;3-18H,1-2H3 |
| InChIKey | AYMZDSGFSZLQQK-UHFFFAOYSA-N |
| XLogP | 61.41 |
| TPSA | 285.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 261 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3387.83 |
| LogP ≤ 5 | 61.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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