C166H105N9OS2 — CID 163580181
2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine;2-phenyl-4-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 163580181) has the molecular formula C166H105N9OS2 and a molecular weight of 2305.86 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine;2-phenyl-4-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine;2-phenyl-4-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 163580181 |
| Molecular Formula | C166H105N9OS2 |
| Molecular Weight | 2305.86 g/mol |
| Exact Mass | 2303.79 |
| IUPAC Name | 2,4-diphenyl-6-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine;2-phenyl-4-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3ccc4c(c3)sc3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)cc3)n2)cc1 |
| InChI | InChI=1S/C58H37N3S.C56H35N3S.C52H33N3O/c1-4-18-38(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)47-30-17-33-52-54(47)49-35-34-43(37-53(49)62-52)58(42-24-8-3-9-25-42)50-31-14-12-27-45(50)46-28-13-15-32-51(46)58;1-3-16-37(17-4-1)53-57-54(40-28-27-36-15-7-8-18-38(36)33-40)59-55(58-53)48-24-10-9-21-43(48)39-29-31-46-47-32-30-42(35-52(47)60-51(46)34-39)56(41-19-5-2-6-20-41)49-25-13-11-22-44(49)45-23-12-14-26-50(45)56;1-4-14-35(15-5-1)49-53-50(36-16-6-2-7-17-36)55-51(54-49)37-26-24-34(25-27-37)38-28-31-47-44(32-38)43-30-29-40(33-48(43)56-47)52(39-18-8-3-9-19-39)45-22-12-10-20-41(45)42-21-11-13-23-46(42)52/h1-37H;1-35H;1-33H |
| InChIKey | GGWMFODWXNFAEB-UHFFFAOYSA-N |
| XLogP | 42.16 |
| TPSA | 129.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2305.86 |
| LogP ≤ 5 | 42.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |