C210H125N15S10 — CID 167672147
2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167672147) has the molecular formula C210H125N15S10 and a molecular weight of 3179.08 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 167672147 |
| Molecular Formula | C210H125N15S10 |
| Molecular Weight | 3179.08 g/mol |
| Exact Mass | 3175.74 |
| IUPAC Name | 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | CC1(C)c2cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2-c2cc3ccccc3cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-c5cccc6sc7ccccc7c56)n4)cc3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2c1 |
| InChI | InChI=1S/C46H29N3S2.C45H27N3S2.C43H25N3S2.C39H23N3S2.C37H21N3S2/c1-46(2)35-25-28(21-22-29(35)34-23-26-11-3-4-12-27(26)24-36(34)46)43-47-44(32-15-9-19-39-41(32)30-13-5-7-17-37(30)50-39)49-45(48-43)33-16-10-20-40-42(33)31-14-6-8-18-38(31)51-40;1-3-13-28(14-4-1)30-25-31(29-15-5-2-6-16-29)27-32(26-30)43-46-44(35-19-11-23-39-41(35)33-17-7-9-21-37(33)49-39)48-45(47-43)36-20-12-24-40-42(36)34-18-8-10-22-38(34)50-40;1-2-10-29-25-30(24-21-26(29)9-1)27-19-22-28(23-20-27)41-44-42(33-13-7-17-37-39(33)31-11-3-5-15-35(31)47-37)46-43(45-41)34-14-8-18-38-40(34)32-12-4-6-16-36(32)48-38;1-2-10-24(11-3-1)25-20-22-26(23-21-25)37-40-38(29-14-8-18-33-35(29)27-12-4-6-16-31(27)43-33)42-39(41-37)30-15-9-19-34-36(30)28-13-5-7-17-32(28)44-34;1-2-8-23-19-24(14-13-22(23)7-1)35-38-36(25-15-17-33-29(20-25)27-9-3-5-11-31(27)41-33)40-37(39-35)26-16-18-34-30(21-26)28-10-4-6-12-32(28)42-34/h3-25H,1-2H3;1-27H;1-25H;1-23H;1-21H |
| InChIKey | UGVTWRNHWQGWBL-UHFFFAOYSA-N |
| XLogP | 60.48 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 235 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3179.08 |
| LogP ≤ 5 | 60.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |