C169H103N9O6 — CID 159840894
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(4-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[4-[6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-yl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 159840894) has the molecular formula C169H103N9O6 and a molecular weight of 2360.77 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(4-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[4-[6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-yl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine.
| Compound Name | 2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(4-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[4-[6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-yl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 159840894 |
| Molecular Formula | C169H103N9O6 |
| Molecular Weight | 2360.77 g/mol |
| Exact Mass | 2358.83 |
| IUPAC Name | 2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(4-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[4-[6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-yl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine |
| SMILES | [2H]c1c([2H])c([2H])c(-c2cccc(-c3cccc4c3oc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccccc%10)cc9c78)n6)cc5)cccc34)c2)c([2H])c1[2H].c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4cc6ccccc6cc45)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)n6)c5c4c3)cc2)cc1 |
| InChI | InChI=1S/C61H37N3O2.C57H35N3O2.C51H31N3O2/c1-4-14-38(15-5-1)45-30-31-54-53(36-45)57-51(24-13-25-55(57)65-54)61-63-59(42-18-8-3-9-19-42)62-60(64-61)48-33-46(39-16-6-2-7-17-39)32-47(34-48)40-26-28-41(29-27-40)49-22-12-23-50-52-35-43-20-10-11-21-44(43)37-56(52)66-58(49)50;1-4-14-36(15-5-1)41-20-10-21-43(34-41)45-23-12-25-47-46-24-11-22-44(53(46)62-54(45)47)38-28-30-40(31-29-38)56-58-55(39-18-8-3-9-19-39)59-57(60-56)48-26-13-27-51-52(48)49-35-42(32-33-50(49)61-51)37-16-6-2-7-17-37;1-3-11-32(12-4-1)33-21-23-34(24-22-33)38-29-30-45-43(31-38)47-42(18-10-20-46(47)55-45)51-53-49(36-13-5-2-6-14-36)52-50(54-51)37-27-25-35(26-28-37)39-16-9-17-41-40-15-7-8-19-44(40)56-48(39)41/h1-37H;1-35H;1-31H/i;1D,4D,5D,14D,15D; |
| InChIKey | NOQVPBMSHVVKHC-AGXLEVRMSA-N |
| XLogP | 45.50 |
| TPSA | 194.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2360.77 |
| LogP ≤ 5 | 45.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |