C159H109N9 — CID 158720930
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine (PubChem CID 158720930) has the molecular formula C159H109N9 and a molecular weight of 2145.68 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158720930 |
| Molecular Formula | C159H109N9 |
| Molecular Weight | 2145.68 g/mol |
| Exact Mass | 2143.88 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)c2)cc1 |
| InChI | InChI=1S/C55H39N3.2C52H35N3/c1-55(2)50-27-13-12-22-46(50)47-29-28-38(33-51(47)55)53-56-52(37-20-10-5-11-21-37)57-54(58-53)41-31-39(35-16-6-3-7-17-35)30-40(32-41)43-24-15-26-45-44-25-14-23-42(48(44)34-49(43)45)36-18-8-4-9-19-36;1-5-16-35(17-6-1)39-24-13-25-40(30-39)51-53-50(38-22-11-4-12-23-38)54-52(55-51)43-32-41(36-18-7-2-8-19-36)31-42(33-43)45-27-15-29-47-46-28-14-26-44(48(46)34-49(45)47)37-20-9-3-10-21-37;1-5-15-35(16-6-1)37-27-29-40(30-28-37)51-53-50(39-21-11-4-12-22-39)54-52(55-51)43-32-41(36-17-7-2-8-18-36)31-42(33-43)45-24-14-26-47-46-25-13-23-44(48(46)34-49(45)47)38-19-9-3-10-20-38/h3-33H,34H2,1-2H3;2*1-33H,34H2 |
| InChIKey | IJXDBFUJGDIUHR-UHFFFAOYSA-N |
| XLogP | 39.97 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 168 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2145.68 |
| LogP ≤ 5 | 39.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |