C163H108N14O2 — CID 167677904
2-dibenzofuran-3-yl-4-[4-(9,10-dihydrophenanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole (PubChem CID 167677904) has the molecular formula C163H108N14O2 and a molecular weight of 2294.75 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(9,10-dihydrophenanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole.
| Compound Name | 2-dibenzofuran-3-yl-4-[4-(9,10-dihydrophenanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 167677904 |
| Molecular Formula | C163H108N14O2 |
| Molecular Weight | 2294.75 g/mol |
| Exact Mass | 2292.88 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-[4-(9,10-dihydrophenanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole |
| SMILES | CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c1ccc1c2oc2ccccc21.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)CCc4ccccc4-5)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/2C43H28N4.C41H27N3O.C36H25N3O/c1-3-12-29(13-4-1)34-26-27-40-38(28-34)37-19-9-10-21-39(37)47(40)43-45-41(32-15-5-2-6-16-32)44-42(46-43)33-24-22-31(23-25-33)36-20-11-17-30-14-7-8-18-35(30)36;1-3-11-29(12-4-1)36-25-26-40-38(28-36)37-17-9-10-18-39(37)47(40)43-45-41(32-14-5-2-6-15-32)44-42(46-43)33-22-19-31(20-23-33)35-24-21-30-13-7-8-16-34(30)27-35;1-2-9-28(10-3-1)39-42-40(44-41(43-39)32-21-23-36-35-12-6-7-13-37(35)45-38(36)25-32)29-17-14-26(15-18-29)30-20-22-34-31(24-30)19-16-27-8-4-5-11-33(27)34;1-36(2)28-20-19-26-25-15-9-10-16-30(25)40-32(26)31(28)27-18-17-24(21-29(27)36)35-38-33(22-11-5-3-6-12-22)37-34(39-35)23-13-7-4-8-14-23/h2*1-28H;1-15,17-18,20-25H,16,19H2;3-21H,1-2H3 |
| InChIKey | VBXZLZSJBBTDDY-UHFFFAOYSA-N |
| XLogP | 40.86 |
| TPSA | 190.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2294.75 |
| LogP ≤ 5 | 40.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |