C192H118N16O4S — CID 161036897
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;2-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 161036897) has the molecular formula C192H118N16O4S and a molecular weight of 2745.23 g/mol. Its IUPAC name is 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;2-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.
| Compound Name | 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;2-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole |
|---|---|
| PubChem CID | 161036897 |
| Molecular Formula | C192H118N16O4S |
| Molecular Weight | 2745.23 g/mol |
| Exact Mass | 2742.92 |
| IUPAC Name | 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;2-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)ccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)ccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7ccc8c9ccccc9sc8c76)ccc5c34)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O.C45H26N4OS.C45H28N4O/c1-4-14-33(15-5-1)36-20-12-21-38(30-36)50-52-49(35-18-8-3-9-19-35)53-51(54-50)42-23-13-25-46-48(42)41-28-27-39(32-47(41)56-46)55-44-24-11-10-22-40(44)43-31-37(26-29-45(43)55)34-16-6-2-7-17-34;1-4-14-33(15-5-1)36-20-12-21-38(30-36)50-52-49(35-18-8-3-9-19-35)53-51(54-50)43-23-13-25-46-48(43)42-29-27-39(32-47(42)56-46)55-44-24-11-10-22-40(44)41-28-26-37(31-45(41)55)34-16-6-2-7-17-34;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-18-11-20-37-40(35)34-23-22-29(26-38(34)50-37)49-36-19-9-7-16-30(36)32-24-25-33-31-17-8-10-21-39(31)51-42(33)41(32)49;1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)37-21-12-24-40-42(37)36-26-25-33(28-41(36)50-40)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h2*1-32H;1-26H;1-28H |
| InChIKey | UAJGNOCNTMQBPP-UHFFFAOYSA-N |
| XLogP | 50.18 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 213 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2745.23 |
| LogP ≤ 5 | 50.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |