C112H70N6O2 — CID 163602172
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 163602172) has the molecular formula C112H70N6O2 and a molecular weight of 1531.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163602172 |
| Molecular Formula | C112H70N6O2 |
| Molecular Weight | 1531.83 g/mol |
| Exact Mass | 1530.56 |
| IUPAC Name | 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)ccc34)n2)cc1 |
| InChI | InChI=1S/2C56H35N3O/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56;1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)48-24-14-19-40-33-38(27-30-43(40)48)39-28-31-46-47-32-29-42(35-52(47)60-51(46)34-39)56(41-20-8-3-9-21-41)49-25-12-10-22-44(49)45-23-11-13-26-50(45)56/h2*1-35H |
| InChIKey | GYPCUFZIUPQDKJ-UHFFFAOYSA-N |
| XLogP | 27.91 |
| TPSA | 103.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 120 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1531.83 |
| LogP ≤ 5 | 27.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |