C185H133N13O — CID 165079383
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165079383) has the molecular formula C185H133N13O and a molecular weight of 2554.19 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165079383 |
| Molecular Formula | C185H133N13O |
| Molecular Weight | 2554.19 g/mol |
| Exact Mass | 2552.08 |
| IUPAC Name | 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
| SMILES | CC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccn4)cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3)cc21 |
| InChI | InChI=1S/C54H39N3.C47H34N4.C42H29N3O.C42H31N3/c1-54(2)48-34-41(28-29-46(48)50-47(38-22-12-5-13-23-38)33-44(35-49(50)54)37-20-10-4-11-21-37)43-30-42(36-18-8-3-9-19-36)31-45(32-43)53-56-51(39-24-14-6-15-25-39)55-52(57-53)40-26-16-7-17-27-40;1-47(2)40-23-10-9-21-39(40)43-38(22-14-24-41(43)47)35-28-36(42-25-11-12-26-48-42)30-37(29-35)46-50-44(32-17-7-4-8-18-32)49-45(51-46)34-20-13-19-33(27-34)31-15-5-3-6-16-31;1-42(2)35-17-8-6-15-31(35)32-21-19-28(25-36(32)42)27-13-10-14-29(23-27)40-43-39(26-11-4-3-5-12-26)44-41(45-40)30-20-22-38-34(24-30)33-16-7-9-18-37(33)46-38;1-42(2)37-21-13-12-20-35(37)36-23-22-31(27-38(36)42)33-24-32(28-14-6-3-7-15-28)25-34(26-33)41-44-39(29-16-8-4-9-17-29)43-40(45-41)30-18-10-5-11-19-30/h3-35H,1-2H3;3-30H,1-2H3;3-25H,1-2H3;3-27H,1-2H3 |
| InChIKey | UWBULQHTRYWKLQ-UHFFFAOYSA-N |
| XLogP | 46.68 |
| TPSA | 180.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2554.19 |
| LogP ≤ 5 | 46.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |