C147H90N12O3S — CID 164947961
2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164947961) has the molecular formula C147H90N12O3S and a molecular weight of 2104.48 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 164947961 |
| Molecular Formula | C147H90N12O3S |
| Molecular Weight | 2104.48 g/mol |
| Exact Mass | 2102.70 |
| IUPAC Name | 2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc(-c6ccc7c(c6)oc6ccccc67)cc54)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)oc5ccccc56)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)oc6ccccc67)cc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O.C45H26N4OS/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)50-52-49(35-15-5-2-6-16-35)53-51(54-50)43-19-8-11-21-45(43)55-44-20-10-7-17-39(44)40-29-27-37(31-46(40)55)38-28-30-42-41-18-9-12-22-47(41)56-48(42)32-38;1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)44-20-8-7-17-39(44)33-23-27-38(28-24-33)55-45-21-11-9-18-40(45)41-29-25-36(31-46(41)55)37-26-30-43-42-19-10-12-22-47(42)56-48(43)32-37;1-2-11-27(12-3-1)43-46-44(36-17-10-16-35-34-15-6-9-20-41(34)51-42(35)36)48-45(47-43)49-37-18-7-4-13-30(37)31-23-21-28(25-38(31)49)29-22-24-33-32-14-5-8-19-39(32)50-40(33)26-29/h2*1-32H;1-26H |
| InChIKey | ADILKPABRSRXMT-UHFFFAOYSA-N |
| XLogP | 38.64 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2104.48 |
| LogP ≤ 5 | 38.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |