C95H94 — CID 158743052
1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene (PubChem CID 158743052) has the molecular formula C95H94 and a molecular weight of 1235.80 g/mol. Its IUPAC name is 1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene.
| Compound Name | 1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene |
|---|---|
| PubChem CID | 158743052 |
| Molecular Formula | C95H94 |
| Molecular Weight | 1235.80 g/mol |
| Exact Mass | 1234.74 |
| IUPAC Name | 1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene |
| SMILES | Cc1cc(C)c2c(c1C)Cc1ccccc1-2.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.Cc1ccc2c(c1)-c1ccc(C)c(C)c1C2.Cc1ccc2c(c1)Cc1c-2ccc(C)c1C.Cc1ccc2c(c1C)Cc1cccc(C)c1-2.Cc1ccc2c(c1C)Cc1ccccc1-2 |
| InChI | InChI=1S/5C16H16.C15H14/c1-10-4-6-14-13(8-10)9-16-12(3)11(2)5-7-15(14)16;1-10-4-6-13-9-15-12(3)11(2)5-7-14(15)16(13)8-10;1-10-7-8-14-15(12(10)3)9-13-6-4-5-11(2)16(13)14;1-10-8-16-14-7-5-4-6-13(14)9-15(16)12(3)11(10)2;1-10-8-11(2)16-14-7-5-4-6-13(14)9-15(16)12(10)3;1-10-7-8-14-13-6-4-3-5-12(13)9-15(14)11(10)2/h5*4-8H,9H2,1-3H3;3-8H,9H2,1-2H3 |
| InChIKey | IMNSSTXCETUGNR-UHFFFAOYSA-N |
| XLogP | 24.79 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 95 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1235.80 |
| LogP ≤ 5 | 24.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |