C246H149F2N15S10 — CID 161317549
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 161317549) has the molecular formula C246H149F2N15S10 and a molecular weight of 3673.67 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 161317549 |
| Molecular Formula | C246H149F2N15S10 |
| Molecular Weight | 3673.67 g/mol |
| Exact Mass | 3669.93 |
| IUPAC Name | 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)cc21.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)n3)c2)cc1 |
| InChI | InChI=1S/C54H35N3S2.2C51H31N3S2.2C45H26FN3S2/c1-54(2)45-23-9-6-16-39(45)40-27-26-33(31-46(40)54)52-55-51(32-14-4-3-5-15-32)56-53(57-52)36-29-34(37-19-12-21-43-41-17-7-10-24-47(41)58-49(37)43)28-35(30-36)38-20-13-22-44-42-18-8-11-25-48(42)59-50(38)44;1-3-14-32(15-4-1)34-18-11-19-35(28-34)50-52-49(33-16-5-2-6-17-33)53-51(54-50)38-30-36(39-22-12-24-43-41-20-7-9-26-45(41)55-47(39)43)29-37(31-38)40-23-13-25-44-42-21-8-10-27-46(42)56-48(40)44;1-3-12-32(13-4-1)34-16-11-17-37(26-34)50-52-49(33-14-5-2-6-15-33)53-51(54-50)40-28-38(35-22-24-47-43(30-35)41-18-7-9-20-45(41)55-47)27-39(29-40)36-23-25-48-44(31-36)42-19-8-10-21-46(42)56-48;46-32-22-20-28(21-23-32)44-47-43(27-10-2-1-3-11-27)48-45(49-44)31-25-29(33-14-8-16-37-35-12-4-6-18-39(35)50-41(33)37)24-30(26-31)34-15-9-17-38-36-13-5-7-19-40(36)51-42(34)38;46-34-18-14-28(15-19-34)44-47-43(27-8-2-1-3-9-27)48-45(49-44)33-23-31(29-16-20-41-37(25-29)35-10-4-6-12-39(35)50-41)22-32(24-33)30-17-21-42-38(26-30)36-11-5-7-13-40(36)51-42/h3-31H,1-2H3;2*1-31H;2*1-26H |
| InChIKey | VJRVJDDBJIBRKW-UHFFFAOYSA-N |
| XLogP | 70.63 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 273 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3673.67 |
| LogP ≤ 5 | 70.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |