C129H79N15O2 — CID 158564648
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 158564648) has the molecular formula C129H79N15O2 and a molecular weight of 1871.15 g/mol. Its IUPAC name is 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.
| Compound Name | 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158564648 |
| Molecular Formula | C129H79N15O2 |
| Molecular Weight | 1871.15 g/mol |
| Exact Mass | 1869.65 |
| IUPAC Name | 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1 |
| InChI | InChI=1S/2C45H27N5O.C39H25N5/c1-3-14-28(15-4-1)43-46-44(35-22-13-21-33-31-19-9-12-25-39(31)51-42(33)35)48-45(47-43)50-36-23-10-7-18-30(36)32-26-27-38-40(41(32)50)34-20-8-11-24-37(34)49(38)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-33-32-18-9-12-22-39(32)51-40(33)27-29)48-45(47-43)50-36-20-10-7-17-31(36)34-25-26-38-41(42(34)50)35-19-8-11-21-37(35)49(38)30-15-5-2-6-16-30;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h2*1-27H;1-25H |
| InChIKey | HRHXGARIFXASRP-UHFFFAOYSA-N |
| XLogP | 32.00 |
| TPSA | 171.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1871.15 |
| LogP ≤ 5 | 32.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |