C151H95N9O3 — CID 158381345
2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 158381345) has the molecular formula C151H95N9O3 and a molecular weight of 2083.48 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158381345 |
| Molecular Formula | C151H95N9O3 |
| Molecular Weight | 2083.48 g/mol |
| Exact Mass | 2081.76 |
| IUPAC Name | 2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c4)c3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4cc5ccc(-c6ccc(-c7ccccc7)c7ccccc67)cc5c5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5c(-c6ccccc6)ccc6ccccc56)c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C57H35N3O.C49H31N3O.C45H29N3O/c1-3-15-36(16-4-1)42-31-32-43(45-22-8-7-21-44(42)45)39-29-30-40-35-51(46-23-9-10-24-47(46)52(40)34-39)38-19-13-20-41(33-38)56-58-55(37-17-5-2-6-18-37)59-57(60-56)50-27-14-26-49-48-25-11-12-28-53(48)61-54(49)50;1-3-14-32(15-4-1)40-29-28-33-16-7-8-23-39(33)45(40)37-21-11-19-35(30-37)36-20-12-22-38(31-36)48-50-47(34-17-5-2-6-18-34)51-49(52-48)43-26-13-25-42-41-24-9-10-27-44(41)53-46(42)43;1-3-12-30(13-4-1)31-24-26-32(27-25-31)34-16-9-17-35(28-34)36-18-10-19-37(29-36)44-46-43(33-14-5-2-6-15-33)47-45(48-44)40-22-11-21-39-38-20-7-8-23-41(38)49-42(39)40/h1-35H;1-31H;1-29H |
| InChIKey | GVVDHXRWTTVFOE-UHFFFAOYSA-N |
| XLogP | 39.93 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2083.48 |
| LogP ≤ 5 | 39.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|