C147H92N12O3 — CID 161421501
9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 161421501) has the molecular formula C147H92N12O3 and a molecular weight of 2074.43 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 161421501 |
| Molecular Formula | C147H92N12O3 |
| Molecular Weight | 2074.43 g/mol |
| Exact Mass | 2072.74 |
| IUPAC Name | 9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)c2)cc1 |
| InChI | InChI=1S/2C51H32N4O.C45H28N4O/c1-4-15-33(16-5-1)37-29-38(34-17-6-2-7-18-34)31-39(30-37)50-52-49(53-51(54-50)55-44-24-12-10-21-41(44)42-22-11-13-25-45(42)55)36-27-28-43-47(32-36)56-46-26-14-23-40(48(43)46)35-19-8-3-9-20-35;1-4-15-33(16-5-1)36-21-12-22-37(31-36)49-52-50(38-29-30-42-46(32-38)56-45-28-14-25-40(48(42)45)35-19-8-3-9-20-35)54-51(53-49)55-43-26-11-10-23-41(43)47-39(24-13-27-44(47)55)34-17-6-2-7-18-34;1-3-12-29(13-4-1)30-22-24-32(25-23-30)43-46-44(48-45(47-43)49-38-19-9-7-16-35(38)36-17-8-10-20-39(36)49)33-26-27-37-41(28-33)50-40-21-11-18-34(42(37)40)31-14-5-2-6-15-31/h2*1-32H;1-28H |
| InChIKey | VWUJPHATAYGYLX-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 |