C173H109N19O4 — CID 157143320
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole (PubChem CID 157143320) has the molecular formula C173H109N19O4 and a molecular weight of 2517.90 g/mol. Its IUPAC name is 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole.
| Compound Name | 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole |
|---|---|
| PubChem CID | 157143320 |
| Molecular Formula | C173H109N19O4 |
| Molecular Weight | 2517.90 g/mol |
| Exact Mass | 2515.89 |
| IUPAC Name | 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-4-quinolin-8-yl-1,3-benzoxazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cccc6cccnc56)c5nc(-c6ccccc6)oc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6cccnc56)c5nc(-c6ccccc6)oc5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4cccc5ccccc45)c4nc(-c5ccccc5)oc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4cccc5cccnc45)c4nc(-c5ccccc5)oc4c3)n2)cc1 |
| InChI | InChI=1S/C44H28N4O.3C43H27N5O/c1-4-16-30(17-5-1)41-46-42(31-18-6-2-7-19-31)48-43(47-41)37-25-13-12-24-35(37)33-27-38(36-26-14-22-29-15-10-11-23-34(29)36)40-39(28-33)49-44(45-40)32-20-8-3-9-21-32;1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)33-21-10-20-32(25-33)34-26-36(35-23-11-19-28-22-12-24-44-38(28)35)39-37(27-34)49-43(45-39)31-17-8-3-9-18-31;1-4-12-30(13-5-1)40-46-41(31-14-6-2-7-15-31)48-42(47-40)32-23-21-28(22-24-32)34-26-36(35-20-10-18-29-19-11-25-44-38(29)35)39-37(27-34)49-43(45-39)33-16-8-3-9-17-33;1-4-14-29(15-5-1)40-46-41(30-16-6-2-7-17-30)48-42(47-40)35-23-11-10-22-33(35)32-26-36(34-24-12-20-28-21-13-25-44-38(28)34)39-37(27-32)49-43(45-39)31-18-8-3-9-19-31/h1-28H;3*1-27H |
| InChIKey | AKKSGERIYHQOJN-UHFFFAOYSA-N |
| XLogP | 42.86 |
| TPSA | 297.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2517.90 |
| LogP ≤ 5 | 42.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |