C102H108 — CID 165077960
1,2,3,5-tetramethyl-9H-fluorene;1,2,3,6-tetramethyl-9H-fluorene;1,2,3,7-tetramethyl-9H-fluorene;1,2,3,8-tetramethyl-9H-fluorene;1,2,4,5-tetramethyl-9H-fluorene;1,2,4,6-tetramethyl-9H-fluorene (PubChem CID 165077960) has the molecular formula C102H108 and a molecular weight of 1333.99 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-9H-fluorene;1,2,3,6-tetramethyl-9H-fluorene;1,2,3,7-tetramethyl-9H-fluorene;1,2,3,8-tetramethyl-9H-fluorene;1,2,4,5-tetramethyl-9H-fluorene;1,2,4,6-tetramethyl-9H-fluorene.
| Compound Name | 1,2,3,5-tetramethyl-9H-fluorene;1,2,3,6-tetramethyl-9H-fluorene;1,2,3,7-tetramethyl-9H-fluorene;1,2,3,8-tetramethyl-9H-fluorene;1,2,4,5-tetramethyl-9H-fluorene;1,2,4,6-tetramethyl-9H-fluorene |
|---|---|
| PubChem CID | 165077960 |
| Molecular Formula | C102H108 |
| Molecular Weight | 1333.99 g/mol |
| Exact Mass | 1332.85 |
| IUPAC Name | 1,2,3,5-tetramethyl-9H-fluorene;1,2,3,6-tetramethyl-9H-fluorene;1,2,3,7-tetramethyl-9H-fluorene;1,2,3,8-tetramethyl-9H-fluorene;1,2,4,5-tetramethyl-9H-fluorene;1,2,4,6-tetramethyl-9H-fluorene |
| SMILES | Cc1cc(C)c2c(c1C)Cc1cccc(C)c1-2.Cc1cc2c(c(C)c1C)Cc1c(C)cccc1-2.Cc1cc2c(c(C)c1C)Cc1cccc(C)c1-2.Cc1ccc2c(c1)-c1c(C)cc(C)c(C)c1C2.Cc1ccc2c(c1)-c1cc(C)c(C)c(C)c1C2.Cc1ccc2c(c1)Cc1c-2cc(C)c(C)c1C |
| InChI | InChI=1S/6C17H18/c1-10-5-6-15-14(7-10)9-16-13(4)12(3)11(2)8-17(15)16;1-10-5-6-14-9-15-13(4)12(3)11(2)8-17(15)16(14)7-10;1-10-5-6-14-9-15-13(4)11(2)8-12(3)17(15)16(14)7-10;1-10-6-5-7-14-15(10)9-16-13(4)12(3)11(2)8-17(14)16;1-10-6-5-7-14-9-15-13(4)12(3)11(2)8-16(15)17(10)14;1-10-6-5-7-14-9-15-13(4)11(2)8-12(3)17(15)16(10)14/h6*5-8H,9H2,1-4H3 |
| InChIKey | UQDSHOFOZSZFOT-UHFFFAOYSA-N |
| XLogP | 26.95 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 102 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1333.99 |
| LogP ≤ 5 | 26.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |