C139H92N12O3 — CID 159575146
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole (PubChem CID 159575146) has the molecular formula C139H92N12O3 and a molecular weight of 1978.35 g/mol. Its IUPAC name is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole.
| Compound Name | 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole |
|---|---|
| PubChem CID | 159575146 |
| Molecular Formula | C139H92N12O3 |
| Molecular Weight | 1978.35 g/mol |
| Exact Mass | 1976.74 |
| IUPAC Name | 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole |
| SMILES | Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C)cc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1 |
| InChI | InChI=1S/C47H32N4O.2C46H30N4O/c1-29-17-21-35-36-22-18-30(2)26-42(36)51(41(35)25-29)40-23-19-33(34-20-24-44-38(27-34)37-15-9-10-16-43(37)52-44)28-39(40)47-49-45(31-11-5-3-6-12-31)48-46(50-47)32-13-7-4-8-14-32;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-24-21-32(33-22-25-43-37(27-33)36-17-9-11-19-42(36)51-43)28-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31;1-29-20-23-40-36(26-29)34-16-8-10-18-39(34)50(40)41-24-21-32(33-22-25-43-37(27-33)35-17-9-11-19-42(35)51-43)28-38(41)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h3-28H,1-2H3;2*2-28H,1H3 |
| InChIKey | MIHQUWAFAJVXNR-UHFFFAOYSA-N |
| XLogP | 35.84 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.35 |
| LogP ≤ 5 | 35.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |