C135H81N15O3 — CID 163497204
9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 163497204) has the molecular formula C135H81N15O3 and a molecular weight of 1961.23 g/mol. Its IUPAC name is 9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 163497204 |
| Molecular Formula | C135H81N15O3 |
| Molecular Weight | 1961.23 g/mol |
| Exact Mass | 1959.66 |
| IUPAC Name | 9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/3C45H27N5O/c1-6-21-36-30(15-1)31-16-2-7-22-37(31)49(36)29-14-11-13-28(27-29)43-46-44(35-20-12-26-41-42(35)34-19-5-10-25-40(34)51-41)48-45(47-43)50-38-23-8-3-17-32(38)33-18-4-9-24-39(33)50;1-6-19-37-31(14-1)32-15-2-7-20-38(32)49(37)30-13-11-12-28(26-30)43-46-44(29-24-25-42-36(27-29)35-18-5-10-23-41(35)51-42)48-45(47-43)50-39-21-8-3-16-33(39)34-17-4-9-22-40(34)50;1-6-19-37-31(14-1)32-15-2-7-20-38(32)49(37)30-13-11-12-28(26-30)43-46-44(29-24-25-36-35-18-5-10-23-41(35)51-42(36)27-29)48-45(47-43)50-39-21-8-3-16-33(39)34-17-4-9-22-40(34)50/h3*1-27H |
| InChIKey | CRSYRVJBWZONDF-UHFFFAOYSA-N |
| XLogP | 33.90 |
| TPSA | 185.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1961.23 |
| LogP ≤ 5 | 33.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |