C153H99N3O3S3 — CID 158048985
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole (PubChem CID 158048985) has the molecular formula C153H99N3O3S3 and a molecular weight of 2123.69 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole.
| Compound Name | 3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158048985 |
| Molecular Formula | C153H99N3O3S3 |
| Molecular Weight | 2123.69 g/mol |
| Exact Mass | 2121.68 |
| IUPAC Name | 3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)cccc21.CC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)cccc21.CC1(C)c2ccccc2-c2c1ccc1c2sc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)cccc21 |
| InChI | InChI=1S/C51H33NO2.C51H33NOS.C51H33NS2/c1-51(2)42-15-6-3-12-39(42)48-43(51)25-24-38-37-14-9-13-34(49(37)54-50(38)48)30-18-22-33(23-19-30)52-44-16-7-4-10-35(44)40-28-31(20-26-45(40)52)32-21-27-47-41(29-32)36-11-5-8-17-46(36)53-47;1-51(2)42-21-6-3-16-40(42)47-43(51)26-25-38-37-19-10-17-33(48(37)53-49(38)47)30-12-9-13-32(28-30)52-44-22-7-4-14-35(44)41-29-31(24-27-45(41)52)34-18-11-20-39-36-15-5-8-23-46(36)54-50(34)39;1-51(2)42-18-6-3-13-40(42)47-43(51)27-26-39-38-17-9-14-33(49(38)54-50(39)47)30-21-24-32(25-22-30)52-44-19-7-4-11-35(44)41-29-31(23-28-45(41)52)34-15-10-16-37-36-12-5-8-20-46(36)53-48(34)37/h3*3-29H,1-2H3 |
| InChIKey | FJGGLVPLTFSZNA-UHFFFAOYSA-N |
| XLogP | 44.07 |
| TPSA | 54.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 162 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2123.69 |
| LogP ≤ 5 | 44.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |