C298H178N18O12 — CID 159519330
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159519330) has the molecular formula C298H178N18O12 and a molecular weight of 4202.82 g/mol. Its IUPAC name is bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 159519330 |
| Molecular Formula | C298H178N18O12 |
| Molecular Weight | 4202.82 g/mol |
| Exact Mass | 4199.39 |
| IUPAC Name | bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1 |
| InChI | InChI=1S/2C51H31N3O2.4C49H29N3O2/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-52-49(34-15-5-2-6-16-34)53-51(54-50)38-30-36(39-19-11-21-43-41-17-7-9-23-45(41)55-47(39)43)29-37(31-38)40-20-12-22-44-42-18-8-10-24-46(42)56-48(40)44;1-3-11-32(12-4-1)33-19-21-35(22-20-33)50-52-49(34-13-5-2-6-14-34)53-51(54-50)40-28-38(36-23-25-47-43(30-36)41-15-7-9-17-45(41)55-47)27-39(29-40)37-24-26-48-44(31-37)42-16-8-10-18-46(42)56-48;2*1-2-13-31(14-3-1)47-50-48(33-25-24-30-12-4-5-15-32(30)26-33)52-49(51-47)36-28-34(37-18-10-20-41-39-16-6-8-22-43(39)53-45(37)41)27-35(29-36)38-19-11-21-42-40-17-7-9-23-44(40)54-46(38)42;2*1-2-11-31(12-3-1)47-50-48(35-19-18-30-10-4-5-13-32(30)24-35)52-49(51-47)38-26-36(33-20-22-45-41(28-33)39-14-6-8-16-43(39)53-45)25-37(27-38)34-21-23-46-42(29-34)40-15-7-9-17-44(40)54-46/h2*1-31H;4*1-29H |
| InChIKey | MBPLSADWWHRGJA-UHFFFAOYSA-N |
| XLogP | 79.98 |
| TPSA | 389.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4202.82 |
| LogP ≤ 5 | 79.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |