C204H116N12O4S8 — CID 163599214
2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163599214) has the molecular formula C204H116N12O4S8 and a molecular weight of 3055.79 g/mol. Its IUPAC name is 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 163599214 |
| Molecular Formula | C204H116N12O4S8 |
| Molecular Weight | 3055.79 g/mol |
| Exact Mass | 3052.70 |
| IUPAC Name | 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccc6c(c5)sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6sc7ccccc7c56)cc(-c5cccc6sc7ccccc7c56)cc34)n2)cc1 |
| InChI | InChI=1S/4C51H29N3OS2/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-35-39-27-33(34-19-11-23-44-46(34)37-17-7-9-21-42(37)56-44)28-40(48(39)55-41(35)29-32)36-20-12-24-45-47(36)38-18-8-10-22-43(38)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-35-41-27-33(34-19-11-20-38-36-17-7-9-23-44(36)56-47(34)38)28-42(46(41)55-43(35)29-32)40-22-12-21-39-37-18-8-10-24-45(37)57-48(39)40;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-22-36-42-26-35(32-19-23-39-37-15-7-9-17-44(37)56-46(39)28-32)25-41(48(42)55-43(36)27-34)33-20-24-40-38-16-8-10-18-45(38)57-47(40)29-33;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-36-42-28-35(32-20-23-46-40(25-32)37-15-7-9-17-44(37)56-46)27-39(48(42)55-43(36)29-34)33-21-24-47-41(26-33)38-16-8-10-18-45(38)57-47/h4*1-29H |
| InChIKey | GWDORWWKCLAXHT-UHFFFAOYSA-N |
| XLogP | 59.37 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3055.79 |
| LogP ≤ 5 | 59.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |