C168H107N9OS2 — CID 163568534
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 163568534) has the molecular formula C168H107N9OS2 and a molecular weight of 2331.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 163568534 |
| Molecular Formula | C168H107N9OS2 |
| Molecular Weight | 2331.90 g/mol |
| Exact Mass | 2329.80 |
| IUPAC Name | 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc34)n2)cc1 |
| InChI | InChI=1S/C64H41N3S.C58H37N3S.C46H29N3O/c1-4-17-42(18-5-1)44-31-35-46(36-32-44)61-65-62(47-37-33-45(34-38-47)43-19-6-2-7-20-43)67-63(66-61)54-26-11-10-23-50(54)53-27-16-30-59-60(53)55-41-49(39-40-58(55)68-59)64(48-21-8-3-9-22-48)56-28-14-12-24-51(56)52-25-13-15-29-57(52)64;1-4-18-38(19-5-1)40-22-16-23-41(36-40)56-59-55(39-20-6-2-7-21-39)60-57(61-56)48-29-11-10-26-44(48)47-30-17-33-53-54(47)49-37-43(34-35-52(49)62-53)58(42-24-8-3-9-25-42)50-31-14-12-27-45(50)46-28-13-15-32-51(46)58;1-4-14-30(15-5-1)43-47-44(31-16-6-2-7-17-31)49-45(48-43)32-24-26-37-38-27-25-34(29-42(38)50-41(37)28-32)46(33-18-8-3-9-19-33)39-22-12-10-20-35(39)36-21-11-13-23-40(36)46/h1-41H;1-37H;1-29H |
| InChIKey | FXFZHQONGTZYFJ-UHFFFAOYSA-N |
| XLogP | 42.68 |
| TPSA | 129.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2331.90 |
| LogP ≤ 5 | 42.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |