C199H117N15O6S2 — CID 159569396
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 159569396) has the molecular formula C199H117N15O6S2 and a molecular weight of 2878.36 g/mol. Its IUPAC name is 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole.
| Compound Name | 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 159569396 |
| Molecular Formula | C199H117N15O6S2 |
| Molecular Weight | 2878.36 g/mol |
| Exact Mass | 2875.88 |
| IUPAC Name | 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)ccc34)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)ccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)ccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)ccc45)n3)c2)cc1 |
| InChI | InChI=1S/2C51H30N4O2.C51H30N4OS.C46H27N3OS/c1-3-12-31(13-4-1)33-16-11-17-34(28-33)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-22-24-38-39-25-23-36(30-46(39)56-45(38)29-35)55-42-20-9-7-19-41(42)47-43(55)27-26-40-37-18-8-10-21-44(37)57-48(40)47;1-3-12-31(13-4-1)33-16-11-17-34(28-33)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-22-24-39-40-25-23-36(30-46(40)56-45(39)29-35)55-43-20-9-7-18-37(43)41-26-27-42-38-19-8-10-21-44(38)57-48(42)47(41)55;1-3-11-31(12-4-1)32-19-21-34(22-20-32)50-52-49(33-13-5-2-6-14-33)53-51(54-50)35-23-25-37-38-26-24-36(30-45(38)56-44(37)29-35)55-42-17-9-7-16-41(42)47-43(55)28-27-40-39-15-8-10-18-46(39)57-48(40)47;1-3-11-28(12-4-1)38-27-39(29-13-5-2-6-14-29)48-46(47-38)30-19-21-33-34-22-20-31(26-42(34)50-41(33)25-30)49-40-17-9-7-15-32(40)36-23-24-37-35-16-8-10-18-43(35)51-45(37)44(36)49/h3*1-30H;1-27H |
| InChIKey | MHPUWBMLLUJNBT-UHFFFAOYSA-N |
| XLogP | 53.62 |
| TPSA | 240.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2878.36 |
| LogP ≤ 5 | 53.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |