C159H100N12O3 — CID 162230336
9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 162230336) has the molecular formula C159H100N12O3 and a molecular weight of 2226.63 g/mol. Its IUPAC name is 9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
| Compound Name | 9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 162230336 |
| Molecular Formula | C159H100N12O3 |
| Molecular Weight | 2226.63 g/mol |
| Exact Mass | 2224.80 |
| IUPAC Name | 9-[3-[4-[4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1 |
| InChI | InChI=1S/C57H36N4O.2C51H32N4O/c1-3-14-37(15-4-1)43-32-44(38-16-5-2-6-17-38)34-45(33-43)57-59-55(58-56(60-57)42-30-31-50-49-22-9-12-25-53(49)62-54(50)36-42)40-28-26-39(27-29-40)41-18-13-19-46(35-41)61-51-23-10-7-20-47(51)48-21-8-11-24-52(48)61;1-2-12-33(13-3-1)36-14-10-16-38(30-36)50-52-49(53-51(54-50)39-28-29-44-43-20-6-9-23-47(43)56-48(44)32-39)35-26-24-34(25-27-35)37-15-11-17-40(31-37)55-45-21-7-4-18-41(45)42-19-5-8-22-46(42)55;1-2-11-33(12-3-1)34-21-25-36(26-22-34)49-52-50(54-51(53-49)39-29-30-44-43-17-6-9-20-47(43)56-48(44)32-39)37-27-23-35(24-28-37)38-13-10-14-40(31-38)55-45-18-7-4-15-41(45)42-16-5-8-19-46(42)55/h1-36H;2*1-32H |
| InChIKey | ZVIHTNOQWURXMO-UHFFFAOYSA-N |
| XLogP | 41.28 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2226.63 |
| LogP ≤ 5 | 41.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |