C174H111N9O2S — CID 163984929
2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 163984929) has the molecular formula C174H111N9O2S and a molecular weight of 2391.93 g/mol. Its IUPAC name is 2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163984929 |
| Molecular Formula | C174H111N9O2S |
| Molecular Weight | 2391.93 g/mol |
| Exact Mass | 2389.86 |
| IUPAC Name | 2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7cc(C8(c9ccccc9)c9ccccc9-c9ccccc98)ccc7c56)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)c2)cc1 |
| InChI | InChI=1S/2C58H37N3O.C58H37N3S/c1-4-17-38(18-5-1)40-21-14-22-41(35-40)42-23-15-24-43(36-42)56-59-55(39-19-6-2-7-20-39)60-57(61-56)48-29-16-32-53-54(48)49-37-45(33-34-52(49)62-53)58(44-25-8-3-9-26-44)50-30-12-10-27-46(50)47-28-11-13-31-51(47)58;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;1-4-17-38(18-5-1)40-21-14-22-41(35-40)42-23-15-24-43(36-42)56-59-55(39-19-6-2-7-20-39)60-57(61-56)49-29-16-32-52-54(49)48-34-33-45(37-53(48)62-52)58(44-25-8-3-9-26-44)50-30-12-10-27-46(50)47-28-11-13-31-51(47)58/h3*1-37H |
| InChIKey | TVLCSUOVPBSPBS-UHFFFAOYSA-N |
| XLogP | 43.88 |
| TPSA | 142.29 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.93 |
| LogP ≤ 5 | 43.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |