C123H75N9O3 — CID 163570291
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 163570291) has the molecular formula C123H75N9O3 and a molecular weight of 1727.01 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine.
| Compound Name | 2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 163570291 |
| Molecular Formula | C123H75N9O3 |
| Molecular Weight | 1727.01 g/mol |
| Exact Mass | 1725.60 |
| IUPAC Name | 2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc4oc5cc6ccccc6cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1 |
| InChI | InChI=1S/3C41H25N3O/c1-2-10-28(11-3-1)39-42-40(29-20-17-27(18-21-29)33-22-19-26-9-4-5-12-30(26)23-33)44-41(43-39)34-15-8-16-36-38(34)35-24-31-13-6-7-14-32(31)25-37(35)45-36;1-2-9-28(10-3-1)39-42-40(29-17-14-27(15-18-29)33-19-16-26-8-4-5-11-30(26)22-33)44-41(43-39)34-20-21-37-35(24-34)36-23-31-12-6-7-13-32(31)25-38(36)45-37;1-2-9-28(10-3-1)39-42-40(29-17-14-27(15-18-29)33-19-16-26-8-4-5-11-30(26)22-33)44-41(43-39)34-20-21-35-36-23-31-12-6-7-13-32(31)24-38(36)45-37(35)25-34/h3*1-25H |
| InChIKey | FYTSWIPMQAULGW-UHFFFAOYSA-N |
| XLogP | 32.24 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1727.01 |
| LogP ≤ 5 | 32.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |