C149H91N9O3 — CID 164953186
2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164953186) has the molecular formula C149H91N9O3 and a molecular weight of 2055.43 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 164953186 |
| Molecular Formula | C149H91N9O3 |
| Molecular Weight | 2055.43 g/mol |
| Exact Mass | 2053.72 |
| IUPAC Name | 2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc6ccccc6c5)ccc5oc6cc7ccccc7cc6c45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6cc7ccccc7cc6c45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6cc7ccccc7cc6c45)cc3)n2)cc1 |
| InChI | InChI=1S/2C51H31N3O.C47H29N3O/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)43-27-26-41(39-23-11-12-24-40(39)43)47-42(38-25-13-21-32-14-9-10-22-37(32)38)28-29-45-48(47)44-30-35-19-7-8-20-36(35)31-46(44)55-45;1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)43-26-25-42(40-21-11-12-22-41(40)43)47-39(38-24-23-32-13-7-8-18-35(32)29-38)27-28-45-48(47)44-30-36-19-9-10-20-37(36)31-46(44)55-45;1-3-13-32(14-4-1)45-48-46(33-15-5-2-6-16-33)50-47(49-45)34-24-22-31(23-25-34)43-39(38-21-11-19-30-12-9-10-20-37(30)38)26-27-41-44(43)40-28-35-17-7-8-18-36(35)29-42(40)51-41/h2*1-31H;1-29H |
| InChIKey | AUSZAPVZJHSPKI-UHFFFAOYSA-N |
| XLogP | 39.54 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2055.43 |
| LogP ≤ 5 | 39.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |