C126H108 — CID 159829393
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (PubChem CID 159829393) has the molecular formula C126H108 and a molecular weight of 1622.25 g/mol. Its IUPAC name is 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.
| Compound Name | 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene |
|---|---|
| PubChem CID | 159829393 |
| Molecular Formula | C126H108 |
| Molecular Weight | 1622.25 g/mol |
| Exact Mass | 1620.85 |
| IUPAC Name | 2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene |
| SMILES | Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/3C26H20.3C16H16/c1-19-11-10-18-24-25(19)22-16-8-9-17-23(22)26(24,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-19-16-17-25-23(18-19)22-14-8-9-15-24(22)26(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h3*2-18H,1H3;3*4-10H,1-3H3 |
| InChIKey | NNGMZNNMLDTSAF-UHFFFAOYSA-N |
| XLogP | 31.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 6 |
| Heavy Atoms | 126 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1622.25 |
| LogP ≤ 5 | 31.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |