C133H96N12O3 — CID 159018235
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine (PubChem CID 159018235) has the molecular formula C133H96N12O3 and a molecular weight of 1910.31 g/mol. Its IUPAC name is 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine.
| Compound Name | 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine |
|---|---|
| PubChem CID | 159018235 |
| Molecular Formula | C133H96N12O3 |
| Molecular Weight | 1910.31 g/mol |
| Exact Mass | 1908.77 |
| IUPAC Name | 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine |
| SMILES | CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)cc2)c2ccccc21.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C48H32N4O2.C48H34N4O.C37H30N4/c1-48(2)37-13-5-7-15-39(37)52(40-16-8-6-14-38(40)48)32-23-19-29(20-24-32)45-49-46(30-21-25-43-35(27-30)33-11-3-9-17-41(33)53-43)51-47(50-45)31-22-26-44-36(28-31)34-12-4-10-18-42(34)54-44;1-48(2)39-18-7-9-20-41(39)52(42-21-10-8-19-40(42)48)35-29-27-34(28-30-35)47-50-45(32-13-4-3-5-14-32)49-46(51-47)33-25-23-31(24-26-33)36-16-12-17-38-37-15-6-11-22-43(37)53-44(36)38;1-25-17-19-27(20-18-25)35-38-34(26-11-5-4-6-12-26)39-36(40-35)28-21-23-29(24-22-28)41-32-15-9-7-13-30(32)37(2,3)31-14-8-10-16-33(31)41/h3-28H,1-2H3;3-30H,1-2H3;4-24H,1-3H3 |
| InChIKey | JTIYNMGTLKZVSK-UHFFFAOYSA-N |
| XLogP | 34.62 |
| TPSA | 165.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1910.31 |
| LogP ≤ 5 | 34.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |