C153H96N12O3 — CID 162126579
9-[4-phenyl-6-[4-[3-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(3-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 162126579) has the molecular formula C153H96N12O3 and a molecular weight of 2150.53 g/mol. Its IUPAC name is 9-[4-phenyl-6-[4-[3-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(3-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-phenyl-6-[4-[3-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(3-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 162126579 |
| Molecular Formula | C153H96N12O3 |
| Molecular Weight | 2150.53 g/mol |
| Exact Mass | 2148.77 |
| IUPAC Name | 9-[4-phenyl-6-[4-[3-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(3-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c3c(c2)oc2ccccc23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c3oc4ccccc4c3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C51H32N4O/c1-3-14-33(15-4-1)39-31-43(48-44(32-39)42-22-9-12-25-47(42)56-48)38-19-13-18-37(30-38)34-26-28-36(29-27-34)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-45-23-10-7-20-40(45)41-21-8-11-24-46(41)55;1-3-14-33(15-4-1)39-31-43(48-42-22-9-12-25-46(42)56-47(48)32-39)38-19-13-18-37(30-38)34-26-28-36(29-27-34)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-23-10-7-20-40(44)41-21-8-11-24-45(41)55;1-3-14-34(15-4-1)40-31-30-39(47-43-22-9-12-25-46(43)56-48(40)47)38-19-13-18-37(32-38)33-26-28-36(29-27-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-23-10-7-20-41(44)42-21-8-11-24-45(42)55/h3*1-32H |
| InChIKey | ZICOGKUIAWUUBH-UHFFFAOYSA-N |
| XLogP | 39.61 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2150.53 |
| LogP ≤ 5 | 39.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |