C124H172F6N6O3 — CID 157152199
5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;2,6-ditert-butyl-3H-indene-4-carbonitrile;5,6-ditert-butyl-1H-indole;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol (PubChem CID 157152199) has the molecular formula C124H172F6N6O3 and a molecular weight of 1908.77 g/mol. Its IUPAC name is 5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;2,6-ditert-butyl-3H-indene-4-carbonitrile;5,6-ditert-butyl-1H-indole;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol.
| Compound Name | 5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;2,6-ditert-butyl-3H-indene-4-carbonitrile;5,6-ditert-butyl-1H-indole;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol |
|---|---|
| PubChem CID | 157152199 |
| Molecular Formula | C124H172F6N6O3 |
| Molecular Weight | 1908.77 g/mol |
| Exact Mass | 1907.34 |
| IUPAC Name | 5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;2,6-ditert-butyl-3H-indene-4-carbonitrile;5,6-ditert-butyl-1H-indole;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol |
| SMILES | CC(C)(C)C1=Cc2cc(C(C)(C)C)cc(C#N)c2C1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC1(C2=Cc3cc(C(C)(C)C)c(F)cc3C2)CC1.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21 |
| InChI | InChI=1S/C21H32FNO.C21H33NO.C18H26FNO.C18H23N.C17H21F.C16H23N.C13H14F3N/c1-8-9-15(24)13-23-18-12-17(22)16(20(2,3)4)10-14(18)11-19(23)21(5,6)7;1-8-9-17(23)14-22-18-11-10-16(20(2,3)4)12-15(18)13-19(22)21(5,6)7;1-17(2,3)13-9-12-10-16(18(4,5)6)20(7-8-21)15(12)11-14(13)19;1-17(2,3)14-7-12-8-15(18(4,5)6)10-16(12)13(9-14)11-19;1-16(2,3)14-9-11-7-13(17(4)5-6-17)8-12(11)10-15(14)18;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16/h10-12,15,24H,8-9,13H2,1-7H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;7,9-10H,5-6,8H2,1-4H3;7-10,17H,1-6H3;4-7,17H,1-3H3 |
| InChIKey | ALJRWDUPDMIVHF-UHFFFAOYSA-N |
| XLogP | 34.25 |
| TPSA | 130.85 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 139 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1908.77 |
| LogP ≤ 5 | 34.25 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 7 |