C207H130N12O6S — CID 157151341
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 157151341) has the molecular formula C207H130N12O6S and a molecular weight of 2913.46 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
| Compound Name | 2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 157151341 |
| Molecular Formula | C207H130N12O6S |
| Molecular Weight | 2913.46 g/mol |
| Exact Mass | 2911.00 |
| IUPAC Name | 2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c56)n4)c3)cccc21.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)n6)c5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)n6)c5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9oc%10ccccc%10c89)c7)n6)c5c4c3)cc2)cc1 |
| InChI | InChI=1S/C54H37N3O.2C51H31N3O2.C51H31N3OS/c1-54(2)45-23-10-9-20-42(45)49-41(21-12-24-46(49)54)39-18-11-19-40(32-39)52-55-51(37-16-7-4-8-17-37)56-53(57-52)43-22-13-25-48-50(43)44-33-38(30-31-47(44)58-48)36-28-26-35(27-29-36)34-14-5-3-6-15-34;1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-44-42(31-36)48-41(20-11-23-46(48)56-44)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-22-45-47(39)40-18-7-8-21-43(40)55-45;1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-45-43(31-36)47-42(21-11-23-46(47)55-45)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-20-41-40-18-7-8-22-44(40)56-48(39)41;1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-44-43(31-36)47-42(21-11-22-45(47)55-44)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-20-41-40-18-7-8-23-46(40)56-48(39)41/h3-33H,1-2H3;3*1-31H |
| InChIKey | ALHCQHSAQNTRIK-UHFFFAOYSA-N |
| XLogP | 55.56 |
| TPSA | 233.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2913.46 |
| LogP ≤ 5 | 55.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |