C137H83N9O3 — CID 165088234
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165088234) has the molecular formula C137H83N9O3 and a molecular weight of 1903.23 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165088234 |
| Molecular Formula | C137H83N9O3 |
| Molecular Weight | 1903.23 g/mol |
| Exact Mass | 1901.66 |
| IUPAC Name | 2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccccc45)n3)c3c(c2)oc2cc4ccccc4cc23)cc1.c1ccc(-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c3c(c2)oc2cc4ccccc4cc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccccc5)cc5oc6cc7ccccc7cc6c45)n3)cc2)cc1 |
| InChI | InChI=1S/C47H29N3O.2C45H27N3O/c1-3-11-30(12-4-1)33-19-22-34(23-20-33)45-48-46(38-24-21-32-15-7-8-16-35(32)25-38)50-47(49-45)41-27-39(31-13-5-2-6-14-31)29-43-44(41)40-26-36-17-9-10-18-37(36)28-42(40)51-43;1-2-12-28(13-3-1)33-25-39(42-38-24-31-16-4-5-17-32(31)26-40(38)49-41(42)27-33)45-47-43(36-22-10-18-29-14-6-8-20-34(29)36)46-44(48-45)37-23-11-19-30-15-7-9-21-35(30)37;1-2-11-28(12-3-1)35-25-39(42-38-24-32-16-6-7-17-33(32)26-40(38)49-41(42)27-35)45-47-43(34-22-21-29-13-4-5-15-31(29)23-34)46-44(48-45)37-20-10-18-30-14-8-9-19-36(30)37/h1-29H;2*1-27H |
| InChIKey | WGIOFHFBTRYQOJ-UHFFFAOYSA-N |
| XLogP | 36.21 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1903.23 |
| LogP ≤ 5 | 36.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |