C173H118N12O3 — CID 161068023
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine (PubChem CID 161068023) has the molecular formula C173H118N12O3 and a molecular weight of 2412.93 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine.
| Compound Name | 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine |
|---|---|
| PubChem CID | 161068023 |
| Molecular Formula | C173H118N12O3 |
| Molecular Weight | 2412.93 g/mol |
| Exact Mass | 2410.94 |
| IUPAC Name | 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine |
| SMILES | Cc1cc(N2c3ccccc3C(c3ccccc3)(c3cc4ccccc4c4c3oc3ccccc34)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(N2c3ccccc3C(c3ccccc3)(c3cc4ccccc4c4c3oc3ccccc34)c3ccccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(N2c3ccccc3C(c3ccccc3)(c3cc4ccccc4c4c3oc3ccccc34)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 |
| InChI | InChI=1S/2C58H40N4O.C57H38N4O/c1-37-35-51(38(2)34-45(37)57-60-55(39-20-6-3-7-21-39)59-56(61-57)40-22-8-4-9-23-40)62-49-31-17-15-29-46(49)58(42-25-10-5-11-26-42,47-30-16-18-32-50(47)62)48-36-41-24-12-13-27-43(41)53-44-28-14-19-33-52(44)63-54(48)53;1-37-34-43(35-38(2)52(37)57-60-55(39-20-6-3-7-21-39)59-56(61-57)40-22-8-4-9-23-40)62-49-31-17-15-29-46(49)58(42-25-10-5-11-26-42,47-30-16-18-32-50(47)62)48-36-41-24-12-13-27-44(41)53-45-28-14-19-33-51(45)63-54(48)53;1-37-35-42(33-34-43(37)56-59-54(38-19-5-2-6-20-38)58-55(60-56)39-21-7-3-8-22-39)61-49-30-16-14-28-46(49)57(41-24-9-4-10-25-41,47-29-15-17-31-50(47)61)48-36-40-23-11-12-26-44(40)52-45-27-13-18-32-51(45)62-53(48)52/h2*3-36H,1-2H3;2-36H,1H3 |
| InChIKey | UEHDNHHOHPJECT-UHFFFAOYSA-N |
| XLogP | 43.82 |
| TPSA | 165.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2412.93 |
| LogP ≤ 5 | 43.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |