C129H81N13O2 — CID 158629566
9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 158629566) has the molecular formula C129H81N13O2 and a molecular weight of 1845.16 g/mol. Its IUPAC name is 9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 158629566 |
| Molecular Formula | C129H81N13O2 |
| Molecular Weight | 1845.16 g/mol |
| Exact Mass | 1843.66 |
| IUPAC Name | 9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccccc87)n6)ccc5c34)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C45H29N5.C45H28N4O.C39H24N4O/c1-2-13-30(14-3-1)31-25-27-32(28-26-31)43-46-44(48-45(47-43)50-41-23-10-6-19-37(41)38-20-7-11-24-42(38)50)33-15-12-16-34(29-33)49-39-21-8-4-17-35(39)36-18-5-9-22-40(36)49;1-3-13-29(14-4-1)31-17-11-18-32(27-31)34-21-12-24-40-42(34)37-26-25-33(28-41(37)50-40)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-38-22-9-7-19-35(38)36-20-8-10-23-39(36)49;1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43/h1-29H;1-28H;1-24H |
| InChIKey | HZAFUUPGBBYETQ-UHFFFAOYSA-N |
| XLogP | 32.47 |
| TPSA | 162.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1845.16 |
| LogP ≤ 5 | 32.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |