C196H118N12O7 — CID 159169194
3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 159169194) has the molecular formula C196H118N12O7 and a molecular weight of 2753.18 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
| Compound Name | 3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole |
|---|---|
| PubChem CID | 159169194 |
| Molecular Formula | C196H118N12O7 |
| Molecular Weight | 2753.18 g/mol |
| Exact Mass | 2750.92 |
| IUPAC Name | 3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc4c3oc3c4ccc4c3c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccc(-c5ccc6c(c5)oc5ccccc56)cc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccc(-c5cccc6c5oc5ccccc56)cc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C53H32N2O2.2C52H31N3O2.C39H24N4O/c1-4-13-33(14-5-1)37-29-45(34-15-6-2-7-16-34)54-46(30-37)43-21-12-20-41-42-27-28-47-51(53(42)57-52(41)43)44-26-24-35(31-48(44)55(47)38-17-8-3-9-18-38)36-23-25-40-39-19-10-11-22-49(39)56-50(40)32-36;1-4-14-32(15-5-1)43-31-44(33-16-6-2-7-17-33)54-52(53-43)42-24-13-23-39-40-28-29-45-48(51(40)57-50(39)42)41-27-26-34(30-46(41)55(45)35-18-8-3-9-19-35)36-21-12-22-38-37-20-10-11-25-47(37)56-49(36)38;1-4-13-32(14-5-1)43-31-44(54-52(53-43)33-15-6-2-7-16-33)41-21-12-20-39-40-27-28-45-49(51(40)57-50(39)41)42-26-24-34(29-46(42)55(45)36-17-8-3-9-18-36)35-23-25-38-37-19-10-11-22-47(37)56-48(38)30-35;1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)31-21-12-20-28-29-23-24-33-34(36(29)44-35(28)31)30-19-10-11-22-32(30)43(33)27-17-8-3-9-18-27/h1-32H;2*1-31H;1-24H |
| InChIKey | KLLSSRCDRYXKTF-UHFFFAOYSA-N |
| XLogP | 52.60 |
| TPSA | 214.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2753.18 |
| LogP ≤ 5 | 52.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |