C138H124 — CID 162061427
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (PubChem CID 162061427) has the molecular formula C138H124 and a molecular weight of 1782.51 g/mol. Its IUPAC name is 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.
| Compound Name | 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene |
|---|---|
| PubChem CID | 162061427 |
| Molecular Formula | C138H124 |
| Molecular Weight | 1782.51 g/mol |
| Exact Mass | 1780.97 |
| IUPAC Name | 9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene |
| SMILES | Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.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.Cc1cccc2c1C(C)(C)c1ccccc1-2 |
| InChI | InChI=1S/2C26H20.C22H20.4C16H16/c1-19-16-17-25-23(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;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;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/h2*2-18H,1H3;4-14H,1-3H3;4*4-10H,1-3H3 |
| InChIKey | YZWWDCWEBLYZCJ-UHFFFAOYSA-N |
| XLogP | 35.89 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 138 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1782.51 |
| LogP ≤ 5 | 35.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |