C204H120N16S8 — CID 160988375
4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 160988375) has the molecular formula C204H120N16S8 and a molecular weight of 3051.85 g/mol. Its IUPAC name is 4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
| Compound Name | 4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 160988375 |
| Molecular Formula | C204H120N16S8 |
| Molecular Weight | 3051.85 g/mol |
| Exact Mass | 3048.76 |
| IUPAC Name | 4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/4C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(54-51(53-49)40-23-13-27-44-47(40)39-19-8-10-26-43(39)56-44)32-28-29-34-36-21-11-22-37(48(36)57-45(34)30-32)35-20-12-25-42-46(35)38-18-7-9-24-41(38)55(42)33-16-5-2-6-17-33;1-3-14-31(15-4-1)49-52-50(54-51(53-49)39-22-13-27-44-48(39)37-19-8-10-25-42(37)56-44)32-28-29-38-45(30-32)57-43-26-12-21-35(47(38)43)34-20-11-24-41-46(34)36-18-7-9-23-40(36)55(41)33-16-5-2-6-17-33;1-3-13-31(14-4-1)49-52-50(54-51(53-49)39-20-12-24-45-48(39)38-18-8-10-23-43(38)56-45)33-25-27-36-40-29-32(26-28-44(40)57-46(36)30-33)35-19-11-22-42-47(35)37-17-7-9-21-41(37)55(42)34-15-5-2-6-16-34;1-3-13-31(14-4-1)49-52-50(54-51(53-49)40-20-12-24-44-48(40)39-18-8-10-23-43(39)56-44)33-26-28-37-36-27-25-32(29-45(36)57-46(37)30-33)35-19-11-22-42-47(35)38-17-7-9-21-41(38)55(42)34-15-5-2-6-16-34/h4*1-30H |
| InChIKey | TUHBLBWOFSMCCO-UHFFFAOYSA-N |
| XLogP | 57.49 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3051.85 |
| LogP ≤ 5 | 57.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |