C147H92N12O3 — CID 164970809
3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164970809) has the molecular formula C147H92N12O3 and a molecular weight of 2074.43 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 164970809 |
| Molecular Formula | C147H92N12O3 |
| Molecular Weight | 2074.43 g/mol |
| Exact Mass | 2072.74 |
| IUPAC Name | 3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O.C45H28N4O/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)41-19-8-11-21-45(41)55-44-20-10-7-17-39(44)42-31-37(27-29-46(42)55)38-28-30-48-43(32-38)40-18-9-12-22-47(40)56-48;1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)42-20-8-7-17-39(42)33-23-27-38(28-24-33)55-45-21-11-9-18-40(45)43-31-36(25-29-46(43)55)37-26-30-48-44(32-37)41-19-10-12-22-47(41)56-48;1-3-11-29(12-4-1)30-19-21-32(22-20-30)44-46-43(31-13-5-2-6-14-31)47-45(48-44)49-39-17-9-7-15-35(39)37-27-33(23-25-40(37)49)34-24-26-42-38(28-34)36-16-8-10-18-41(36)50-42/h2*1-32H;1-28H |
| InChIKey | DCCLAKPIMNZYLA-UHFFFAOYSA-N |
| XLogP | 37.94 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2074.43 |
| LogP ≤ 5 | 37.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |