C147H117N9O — CID 163875373
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 163875373) has the molecular formula C147H117N9O and a molecular weight of 2025.61 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163875373 |
| Molecular Formula | C147H117N9O |
| Molecular Weight | 2025.61 g/mol |
| Exact Mass | 2023.94 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2C1(C)C.CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2C1(C)C |
| InChI | InChI=1S/2C51H41N3.C45H35N3O/c1-50(2)44-29-17-28-42(46(44)43-31-30-37(33-45(43)51(50,3)4)34-18-8-5-9-19-34)41-27-15-14-26-40(41)38-24-16-25-39(32-38)49-53-47(35-20-10-6-11-21-35)52-48(54-49)36-22-12-7-13-23-36;1-50(2)44-26-16-25-42(46(44)43-32-31-39(33-45(43)51(50,3)4)34-17-8-5-9-18-34)41-24-15-14-23-40(41)35-27-29-38(30-28-35)49-53-47(36-19-10-6-11-20-36)52-48(54-49)37-21-12-7-13-22-37;1-44(2)37-23-20-30(28-13-7-5-8-14-28)25-35(37)36-26-31(21-24-38(36)45(44,3)4)42-46-41(29-15-9-6-10-16-29)47-43(48-42)32-19-22-34-33-17-11-12-18-39(33)49-40(34)27-32/h2*5-33H,1-4H3;5-27H,1-4H3 |
| InChIKey | POJYXQSCOBOKLV-UHFFFAOYSA-N |
| XLogP | 37.89 |
| TPSA | 129.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 157 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2025.61 |
| LogP ≤ 5 | 37.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |