C181H116N18O — CID 159124584
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzoxazole;5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[b]carbazole;2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159124584) has the molecular formula C181H116N18O and a molecular weight of 2559.04 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzoxazole;5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[b]carbazole;2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzoxazole;5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[b]carbazole;2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159124584 |
| Molecular Formula | C181H116N18O |
| Molecular Weight | 2559.04 g/mol |
| Exact Mass | 2556.96 |
| IUPAC Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,3-benzoxazole;5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[b]carbazole;2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3nc4ccccc4o3)n2)cc1 |
| InChI | InChI=1S/2C51H33N5.C47H30N4.C32H20N4O/c1-4-17-37(18-5-1)45-33-46(44-26-14-23-34-15-10-12-24-41(34)44)53-48(52-45)40-29-27-36(28-30-40)43-32-31-35-16-11-13-25-42(35)47(43)51-55-49(38-19-6-2-7-20-38)54-50(56-51)39-21-8-3-9-22-39;1-4-16-36(17-5-1)45-33-46(53-50(52-45)42-29-24-34-14-10-11-22-41(34)32-42)37-25-27-38(28-26-37)47-43-23-13-12-15-35(43)30-31-44(47)51-55-48(39-18-6-2-7-19-39)54-49(56-51)40-20-8-3-9-21-40;1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)40-28-25-31-13-9-10-20-38(31)44(40)32-23-26-37(27-24-32)51-42-22-12-11-21-39(42)41-29-35-18-7-8-19-36(35)30-43(41)51;1-3-12-22(13-4-1)29-34-30(23-14-5-2-6-15-23)36-31(35-29)25-20-19-21-11-7-8-16-24(21)28(25)32-33-26-17-9-10-18-27(26)37-32/h2*1-33H;1-30H;1-20H |
| InChIKey | KGCWJCHOUGINMF-UHFFFAOYSA-N |
| XLogP | 45.05 |
| TPSA | 237.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2559.04 |
| LogP ≤ 5 | 45.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |