C325H201N19O2S2 — CID 157231984
2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole (PubChem CID 157231984) has the molecular formula C325H201N19O2S2 and a molecular weight of 4468.45 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole.
| Compound Name | 2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole |
|---|---|
| PubChem CID | 157231984 |
| Molecular Formula | C325H201N19O2S2 |
| Molecular Weight | 4468.45 g/mol |
| Exact Mass | 4464.57 |
| IUPAC Name | 2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)n3)cc2)cc1 |
| InChI | InChI=1S/C64H41N3.C57H36N4.2C51H31N3O.2C51H31N3S/c1-5-18-42(19-6-1)43-32-34-45(35-33-43)62-65-61(44-20-7-2-8-21-44)66-63(67-62)55-30-17-29-53-50-26-13-14-27-51(50)56-40-46(36-38-54(56)60(53)55)47-37-39-59-57(41-47)52-28-15-16-31-58(52)64(59,48-22-9-3-10-23-48)49-24-11-4-12-25-49;1-4-15-37(16-5-1)38-27-29-40(30-28-38)56-58-55(39-17-6-2-7-18-39)59-57(60-56)49-25-14-24-47-44-21-10-11-22-45(44)50-35-41(31-33-48(50)54(47)49)42-32-34-53-51(36-42)46-23-12-13-26-52(46)61(53)43-19-8-3-9-20-43;1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)44-20-11-19-42-38-16-7-8-17-39(38)45-30-36(27-29-43(45)48(42)44)37-26-28-41-40-18-9-10-21-46(40)55-47(41)31-37;1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)43-20-11-19-41-38-16-7-8-17-39(38)44-30-36(26-28-42(44)48(41)43)37-27-29-47-45(31-37)40-18-9-10-21-46(40)55-47;1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)44-20-11-19-42-38-16-7-8-17-39(38)45-30-36(27-29-43(45)48(42)44)37-26-28-41-40-18-9-10-21-46(40)55-47(41)31-37;1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)43-20-11-19-41-38-16-7-8-17-39(38)44-30-36(26-28-42(44)48(41)43)37-27-29-47-45(31-37)40-18-9-10-21-46(40)55-47/h1-41H;1-36H;4*1-31H |
| InChIKey | AUFCEPUOEKRKKP-UHFFFAOYSA-N |
| XLogP | 85.99 |
| TPSA | 263.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 348 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4468.45 |
| LogP ≤ 5 | 85.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |