C288H177N15S11 — CID 158464749
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 158464749) has the molecular formula C288H177N15S11 and a molecular weight of 4200.43 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158464749 |
| Molecular Formula | C288H177N15S11 |
| Molecular Weight | 4200.43 g/mol |
| Exact Mass | 4196.12 |
| IUPAC Name | 2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)n4)cc3)cc21.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)n4)c3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1 |
| InChI | InChI=1S/C60H39N3S2.C57H33N3S3.3C57H35N3S2/c1-60(2)51-17-9-6-14-45(51)46-27-24-41(35-52(46)60)36-20-22-38(23-21-36)58-61-57(37-12-4-3-5-13-37)62-59(63-58)44-31-42(39-25-28-55-49(33-39)47-15-7-10-18-53(47)64-55)30-43(32-44)40-26-29-56-50(34-40)48-16-8-11-19-54(48)65-56;1-2-11-34(12-3-1)55-58-56(39-14-10-13-35(27-39)36-21-24-52-46(31-36)43-15-4-7-18-49(43)61-52)60-57(59-55)42-29-40(37-22-25-53-47(32-37)44-16-5-8-19-50(44)62-53)28-41(30-42)38-23-26-54-48(33-38)45-17-6-9-20-51(45)63-54;1-3-13-36(14-4-1)38-17-11-18-39(29-38)40-19-12-20-43(30-40)56-58-55(37-15-5-2-6-16-37)59-57(60-56)46-32-44(41-25-27-53-49(34-41)47-21-7-9-23-51(47)61-53)31-45(33-46)42-26-28-54-50(35-42)48-22-8-10-24-52(48)62-54;1-3-12-36(13-4-1)40-16-11-17-41(30-40)37-22-24-39(25-23-37)56-58-55(38-14-5-2-6-15-38)59-57(60-56)46-32-44(42-26-28-53-49(34-42)47-18-7-9-20-51(47)61-53)31-45(33-46)43-27-29-54-50(35-43)48-19-8-10-21-52(48)62-54;1-3-12-36(13-4-1)37-22-24-38(25-23-37)40-16-11-17-43(30-40)56-58-55(39-14-5-2-6-15-39)59-57(60-56)46-32-44(41-26-28-53-49(34-41)47-18-7-9-20-51(47)61-53)31-45(33-46)42-27-29-54-50(35-42)48-19-8-10-21-52(48)62-54/h3-35H,1-2H3;1-33H;3*1-35H |
| InChIKey | HFPQNELZGCLMLO-UHFFFAOYSA-N |
| XLogP | 82.72 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4200.43 |
| LogP ≤ 5 | 82.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |