C161H104N18O — CID 158201039
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 158201039) has the molecular formula C161H104N18O and a molecular weight of 2306.73 g/mol. Its IUPAC name is 4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 158201039 |
| Molecular Formula | C161H104N18O |
| Molecular Weight | 2306.73 g/mol |
| Exact Mass | 2304.86 |
| IUPAC Name | 4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1 |
| InChI | InChI=1S/C45H28N4O.C43H28N4.C37H24N4.C36H24N6/c1-3-12-29(13-4-1)30-22-24-31(25-23-30)43-46-44(32-26-27-35-34-16-8-10-21-40(34)50-41(35)28-32)48-45(47-43)37-18-11-20-39-42(37)36-17-7-9-19-38(36)49(39)33-14-5-2-6-15-33;1-2-12-31(13-3-1)41-44-42(32-24-21-30(22-25-32)34-26-23-29-11-4-5-14-33(29)27-34)46-43(45-41)35-15-10-16-36(28-35)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47;1-2-12-26(13-3-1)35-38-36(30-16-10-15-28(24-30)29-22-21-25-11-4-5-14-27(25)23-29)40-37(39-35)41-33-19-8-6-17-31(33)32-18-7-9-20-34(32)41;1-5-13-25(14-6-1)31-37-32(26-15-7-2-8-16-26)40-35(39-31)29-21-23-30(24-22-29)36-41-33(27-17-9-3-10-18-27)38-34(42-36)28-19-11-4-12-20-28/h1-28H;1-28H;1-24H;1-24H |
| InChIKey | GAXYQEMWEAWRNX-UHFFFAOYSA-N |
| XLogP | 39.51 |
| TPSA | 221.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.73 |
| LogP ≤ 5 | 39.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |