C220H138N12O2S2 — CID 163967267
2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 163967267) has the molecular formula C220H138N12O2S2 and a molecular weight of 3045.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163967267 |
| Molecular Formula | C220H138N12O2S2 |
| Molecular Weight | 3045.74 g/mol |
| Exact Mass | 3043.05 |
| IUPAC Name | 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cccc6oc7cc(C8(c9ccccc9)c9ccccc9-c9ccccc98)ccc7c56)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cccc6sc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)ccc4c3)n2)cc1 |
| InChI | InChI=1S/2C56H35N3O.C56H35N3S.C52H33N3S/c1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)41-30-28-38-33-40(29-27-39(38)34-41)44-23-14-26-50-52(44)47-32-31-43(35-51(47)60-50)56(42-19-8-3-9-20-42)48-24-12-10-21-45(48)46-22-11-13-25-49(46)56;1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)46-34-33-42(40-23-10-11-24-41(40)46)45-27-16-30-50-52(45)47-32-31-39(35-51(47)60-50)56(38-21-8-3-9-22-38)48-28-14-12-25-43(48)44-26-13-15-29-49(44)56;1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)41-30-28-38-33-40(29-27-39(38)34-41)44-23-14-26-51-52(44)47-35-43(31-32-50(47)60-51)56(42-19-8-3-9-20-42)48-24-12-10-21-45(48)46-22-11-13-25-49(46)56;1-4-15-35(16-5-1)49-53-50(36-17-6-2-7-18-36)55-51(54-49)37-29-27-34(28-30-37)40-23-14-26-47-48(40)43-33-39(31-32-46(43)56-47)52(38-19-8-3-9-20-38)44-24-12-10-21-41(44)42-22-11-13-25-45(42)52/h3*1-35H;1-33H |
| InChIKey | SMXBRYHRRRWAEF-UHFFFAOYSA-N |
| XLogP | 55.60 |
| TPSA | 180.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3045.74 |
| LogP ≤ 5 | 55.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |