C132H89N9 — CID 159788498
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine (PubChem CID 159788498) has the molecular formula C132H89N9 and a molecular weight of 1801.23 g/mol. Its IUPAC name is 2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine.
| Compound Name | 2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159788498 |
| Molecular Formula | C132H89N9 |
| Molecular Weight | 1801.23 g/mol |
| Exact Mass | 1799.72 |
| IUPAC Name | 2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c3c(c2)-c2cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c2C3)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3C4)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)-c3cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c3C4)c2)cc1 |
| InChI | InChI=1S/2C46H31N3.C40H27N3/c1-5-15-31(16-6-1)37-28-40(32-17-7-2-8-18-32)43-30-42-38(25-14-26-39(42)41(43)29-37)35-23-13-24-36(27-35)46-48-44(33-19-9-3-10-20-33)47-45(49-46)34-21-11-4-12-22-34;1-4-13-31(14-5-1)34-19-10-20-35(27-34)36-25-26-38-30-43-40(23-12-24-41(43)42(38)29-36)37-21-11-22-39(28-37)46-48-44(32-15-6-2-7-16-32)47-45(49-46)33-17-8-3-9-18-33;1-4-11-27(12-5-1)28-19-21-29(22-20-28)32-23-24-33-26-37-34(36(33)25-32)17-10-18-35(37)40-42-38(30-13-6-2-7-14-30)41-39(43-40)31-15-8-3-9-16-31/h2*1-29H,30H2;1-25H,26H2 |
| InChIKey | NIGKNZFRWXAIJN-UHFFFAOYSA-N |
| XLogP | 32.67 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 141 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1801.23 |
| LogP ≤ 5 | 32.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |