C357H226N20O — CID 159218262
2-[3-(5-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)triphenylen-1-yl]-1,3,5-triazine;9-naphthalen-2-yl-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole;9-(4-phenylphenyl)-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole (PubChem CID 159218262) has the molecular formula C357H226N20O and a molecular weight of 4811.87 g/mol. Its IUPAC name is 2-[3-(5-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)triphenylen-1-yl]-1,3,5-triazine;9-naphthalen-2-yl-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole;9-(4-phenylphenyl)-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole.
| Compound Name | 2-[3-(5-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)triphenylen-1-yl]-1,3,5-triazine;9-naphthalen-2-yl-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole;9-(4-phenylphenyl)-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole |
|---|---|
| PubChem CID | 159218262 |
| Molecular Formula | C357H226N20O |
| Molecular Weight | 4811.87 g/mol |
| Exact Mass | 4807.82 |
| IUPAC Name | 2-[3-(5-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)triphenylen-1-yl]-1,3,5-triazine;9-naphthalen-2-yl-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole;9-(4-phenylphenyl)-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8)cc7)c56)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)c56)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7ccc8oc9ccccc9c8c7)c56)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c34)n2)cc1 |
| InChI | InChI=1S/C69H44N4.C67H42N4.C58H35N3.C58H37N3.C57H35N3O.C48H33N3/c1-4-16-45(17-5-1)47-30-32-50(33-31-47)68-70-67(49-20-8-3-9-21-49)71-69(72-68)54-23-14-22-51(42-54)52-36-40-61-62(43-52)58-25-11-10-24-57(58)60-28-15-27-56(66(60)61)53-37-41-65-63(44-53)59-26-12-13-29-64(59)73(65)55-38-34-48(35-39-55)46-18-6-2-7-19-46;1-3-15-43(16-4-1)45-29-31-47(32-30-45)66-68-65(46-18-5-2-6-19-46)69-67(70-66)52-22-13-21-48(39-52)50-34-37-59-60(41-50)56-24-10-9-23-55(56)58-27-14-26-54(64(58)59)51-35-38-63-61(42-51)57-25-11-12-28-62(57)71(63)53-36-33-44-17-7-8-20-49(44)40-53;1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)48-26-15-25-46-40-20-7-8-21-41(40)49-34-38(31-33-47(49)54(46)48)39-30-32-45-44-24-11-14-29-52(44)58(53(45)35-39)50-27-12-9-22-42(50)43-23-10-13-28-51(43)58;1-5-18-38(19-6-1)55-59-56(39-20-7-2-8-21-39)61-57(60-55)50-30-17-29-48-44-26-13-14-27-45(44)51-36-40(33-35-49(51)54(48)50)41-32-34-47-46-28-15-16-31-52(46)58(53(47)37-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43;1-3-13-36(14-4-1)37-25-27-39(28-26-37)56-58-55(38-15-5-2-6-16-38)59-57(60-56)43-18-11-17-40(33-43)41-29-31-49-50(34-41)46-20-8-7-19-45(46)48-23-12-22-44(54(48)49)42-30-32-53-51(35-42)47-21-9-10-24-52(47)61-53;1-48(2)42-23-12-11-20-36(42)37-26-24-33(29-43(37)48)32-25-27-39-41(28-32)35-19-10-9-18-34(35)38-21-13-22-40(44(38)39)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31/h1-44H;1-42H;1-35H;1-37H;1-35H;3-29H,1-2H3 |
| InChIKey | KRIVQLFBLBYPBR-UHFFFAOYSA-N |
| XLogP | 91.92 |
| TPSA | 255.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 378 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4811.87 |
| LogP ≤ 5 | 91.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |