C135H86N12OS — CID 165082275
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 165082275) has the molecular formula C135H86N12OS and a molecular weight of 1924.32 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 165082275 |
| Molecular Formula | C135H86N12OS |
| Molecular Weight | 1924.32 g/mol |
| Exact Mass | 1922.68 |
| IUPAC Name | 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)cc4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)cc4)c3c2)cc1 |
| InChI | InChI=1S/C45H28N4O.C45H28N4S.C45H30N4/c2*1-3-11-29(12-4-1)32-21-25-36-35-15-7-9-17-39(35)49(40(36)27-32)34-23-19-31(20-24-34)44-46-43(30-13-5-2-6-14-30)47-45(48-44)33-22-26-38-37-16-8-10-18-41(37)50-42(38)28-33;1-4-12-31(13-5-1)33-20-22-35(23-21-33)44-46-43(34-16-8-3-9-17-34)47-45(48-44)36-24-27-38(28-25-36)49-41-19-11-10-18-39(41)40-29-26-37(30-42(40)49)32-14-6-2-7-15-32/h2*1-28H;1-30H |
| InChIKey | VHVKGJXODQJMQR-UHFFFAOYSA-N |
| XLogP | 34.84 |
| TPSA | 143.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1924.32 |
| LogP ≤ 5 | 34.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |