tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol

C228H246F30O19Si3 — CID 157073324

IUPACtert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1
InChIInChI=1S/C36H43F5O2Si.C36H44F4O3Si.C36H42F4O3Si.C30H29F5O2.2C30H30F4O3.C30H28F4O3/c1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(38)24-12-16-25(17-13-24)36(39,40)41;2*1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(41)24-12-16-25(17-13-24)36(38,39)40;1-29(2)16-23(36)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(32)19-7-11-20(12-8-19)30(33,34)35;3*1-29(2)16-23(35)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(36)19-7-11-20(12-8-19)30(32,33)34/h12-20,22,29,33H,8-11,21H2,1-7H3;12-20,22,29,33,41H,8-11,21H2,1-7H3;12-20,22,29H,8-11,21H2,1-7H3;7-15,17,23,28,36H,3-6,16H2,1-2H3;2*7-15,17,23,28,35-36H,3-6,16H2,1-2H3;7-15,17,23,35H,3-6,16H2,1-2H3/t2*29-,33?;29-;23-,28-;23-,28+;23-,28-;23-/m0000000/s1
InChIKeyACRJSLOWLCOBBN-QHNCEAGPSA-N
MW3944.65 g/mol
LogP66.26
Rot. Bonds34

About tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol

tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 157073324) has the molecular formula C228H246F30O19Si3 and a molecular weight of 3944.65 g/mol. Its IUPAC name is tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Nametert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID157073324
Molecular FormulaC228H246F30O19Si3
Molecular Weight3944.65 g/mol
Exact Mass3941.71
IUPAC Nametert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1
InChIInChI=1S/C36H43F5O2Si.C36H44F4O3Si.C36H42F4O3Si.C30H29F5O2.2C30H30F4O3.C30H28F4O3/c1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(38)24-12-16-25(17-13-24)36(39,40)41;2*1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(41)24-12-16-25(17-13-24)36(38,39)40;1-29(2)16-23(36)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(32)19-7-11-20(12-8-19)30(33,34)35;3*1-29(2)16-23(35)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(36)19-7-11-20(12-8-19)30(32,33)34/h12-20,22,29,33H,8-11,21H2,1-7H3;12-20,22,29,33,41H,8-11,21H2,1-7H3;12-20,22,29H,8-11,21H2,1-7H3;7-15,17,23,28,36H,3-6,16H2,1-2H3;2*7-15,17,23,28,35-36H,3-6,16H2,1-2H3;7-15,17,23,35H,3-6,16H2,1-2H3/t2*29-,33?;29-;23-,28-;23-,28+;23-,28-;23-/m0000000/s1
InChIKeyACRJSLOWLCOBBN-QHNCEAGPSA-N
XLogP66.26
TPSA268.05 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003944.65
LogP ≤ 566.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 157073324) is tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.CC1(C)C[C@H](O[Si](C)(C)C(C)(C)C)c2c(cc(C3CCCC3)c(C(O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1.
What is the InChIKey of tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is ACRJSLOWLCOBBN-QHNCEAGPSA-N. The full InChI is InChI=1S/C36H43F5O2Si.C36H44F4O3Si.C36H42F4O3Si.C30H29F5O2.2C30H30F4O3.C30H28F4O3/c1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(38)24-12-16-25(17-13-24)36(39,40)41;2*1-34(2,3)44(6,7)43-29-21-35(4,5)42-28-20-27(22-10-8-9-11-22)31(30(32(28)29)23-14-18-26(37)19-15-23)33(41)24-12-16-25(17-13-24)36(38,39)40;1-29(2)16-23(36)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(32)19-7-11-20(12-8-19)30(33,34)35;3*1-29(2)16-23(35)27-24(37-29)15-22(17-5-3-4-6-17)26(25(27)18-9-13-21(31)14-10-18)28(36)19-7-11-20(12-8-19)30(32,33)34/h12-20,22,29,33H,8-11,21H2,1-7H3;12-20,22,29,33,41H,8-11,21H2,1-7H3;12-20,22,29H,8-11,21H2,1-7H3;7-15,17,23,28,36H,3-6,16H2,1-2H3;2*7-15,17,23,28,35-36H,3-6,16H2,1-2H3;7-15,17,23,35H,3-6,16H2,1-2H3/t2*29-,33?;29-;23-,28-;23-,28+;23-,28-;23-/m0000000/s1.
What are the key properties of tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 3944.65 g/mol, XLogP of 66.26, 34 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]oxy]-dimethylsilane;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanol;[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;[(4S)-7-cyclopentyl-5-(4-fluorophenyl)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-[4-(trifluoromethyl)phenyl]methanone;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol;(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 157073324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).