C156H102N12O3 — CID 159648707
9-(3-dibenzofuran-2-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-3-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-4-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine (PubChem CID 159648707) has the molecular formula C156H102N12O3 and a molecular weight of 2192.61 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-3-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-4-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine.
| Compound Name | 9-(3-dibenzofuran-2-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-3-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-4-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine |
|---|---|
| PubChem CID | 159648707 |
| Molecular Formula | C156H102N12O3 |
| Molecular Weight | 2192.61 g/mol |
| Exact Mass | 2190.82 |
| IUPAC Name | 9-(3-dibenzofuran-2-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-3-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine;9-(3-dibenzofuran-4-ylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylacridine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C(c4ccccc4)(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C(c4ccccc4)(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C(c4ccccc4)(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C52H34N4O/c1-4-18-35(19-5-1)49-53-50(36-20-6-2-7-21-36)55-51(54-49)56-45-31-13-11-29-43(45)52(38-23-8-3-9-24-38,44-30-12-14-32-46(44)56)39-25-16-22-37(34-39)40-27-17-28-42-41-26-10-15-33-47(41)57-48(40)42;1-4-17-35(18-5-1)49-53-50(36-19-6-2-7-20-36)55-51(54-49)56-45-28-13-11-26-43(45)52(39-22-8-3-9-23-39,44-27-12-14-29-46(44)56)40-24-16-21-37(33-40)38-31-32-48-42(34-38)41-25-10-15-30-47(41)57-48;1-4-17-35(18-5-1)49-53-50(36-19-6-2-7-20-36)55-51(54-49)56-45-28-13-11-26-43(45)52(39-22-8-3-9-23-39,44-27-12-14-29-46(44)56)40-24-16-21-37(33-40)38-31-32-42-41-25-10-15-30-47(41)57-48(42)34-38/h3*1-34H |
| InChIKey | MRHCZVSJJRCFGU-UHFFFAOYSA-N |
| XLogP | 38.81 |
| TPSA | 165.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2192.61 |
| LogP ≤ 5 | 38.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |