C117H72N12O3 — CID 164984406
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 164984406) has the molecular formula C117H72N12O3 and a molecular weight of 1693.94 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 164984406 |
| Molecular Formula | C117H72N12O3 |
| Molecular Weight | 1693.94 g/mol |
| Exact Mass | 1692.59 |
| IUPAC Name | 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C45H28N4O.C39H24N4O.C33H20N4O/c1-3-13-29(14-4-1)30-25-27-31(28-26-30)43-46-44(48-45(47-43)37-21-11-19-34-33-17-8-10-24-40(33)50-42(34)37)36-20-12-23-39-41(36)35-18-7-9-22-38(35)49(39)32-15-5-2-6-16-32;1-2-11-25(12-3-1)26-21-23-27(24-22-26)37-40-38(31-16-10-20-35-36(31)30-15-6-9-19-34(30)44-35)42-39(41-37)43-32-17-7-4-13-28(32)29-14-5-8-18-33(29)43;1-2-11-21(12-3-1)31-34-32(25-16-10-20-29-30(25)24-15-6-9-19-28(24)38-29)36-33(35-31)37-26-17-7-4-13-22(26)23-14-5-8-18-27(23)37/h1-28H;1-24H;1-20H |
| InChIKey | FYIOEHUHVWCXOR-UHFFFAOYSA-N |
| XLogP | 29.61 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1693.94 |
| LogP ≤ 5 | 29.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |