bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)

C198H234AlBr2F9N8O29P4PdS7Sn — CID 157132376

About bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)

bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 157132376) has the molecular formula C198H234AlBr2F9N8O29P4PdS7Sn and a molecular weight of 4121.34 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)
• PubChem CID: 157132376
• Molecular Formula: C198H234AlBr2F9N8O29P4PdS7Sn
• Molecular Weight: 4121.34 g/mol
• Exact Mass: 4117.02
• IUPAC Name: bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ncco1.C[C@@H]1CCCC[C@H]1OC(CO)c1ccccc1.C[C@H]1CCCC[C@@H]1O.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(O[C@H]1CCCC[C@@H]1C)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(O[C@H]1CCCC[C@@H]1C)c1ccccc1.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.S.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CO2)cc1
• InChI: InChI=1S/C33H41N3O6S.C30H39BrN2O5S.4C18H15P.C15H19BrN2O4S.C15H22O2.C8H8O.C7H14O.3C4H9.C3H2NO.3CHF3O3S.Al.Pd.H2S.Sn/c1-20-13-11-12-16-23(20)41-24(22-14-9-8-10-15-22)19-35-29-25(21(2)26(43-29)27-34-17-18-40-27)28(37)36(31(35)39)33(6,7)30(38)42-32(3,4)5;1-18-13-11-12-16-21(18)37-22(20-14-9-8-10-15-20)17-32-26-23(19(2)24(31)39-26)25(34)33(28(32)36)30(6,7)27(35)38-29(3,4)5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4;1-12-7-5-6-10-14(12)17-15(11-16)13-8-3-2-4-9-13;1-2-4-7(5-3-1)8-6-9-8;1-6-4-2-3-5-7(6)8;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;;/h8-10,14-15,17-18,20,23-24H,11-13,16,19H2,1-7H3;8-10,14-15,18,21-22H,11-13,16-17H2,1-7H3;4*1-15H;1-6H3,(H,17,21);2-4,8-9,12,14-16H,5-7,10-11H2,1H3;1-5,8H,6H2;6-8H,2-5H2,1H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;;1H2;/q;;;;;;;;;;;;;;;;;+3;;;/p-3/t20-,23-,24?;18-,21-,22?;;;;;;12-,14-,15?;8-;6-,7-;;;;;;;;;;;/m00.....110.........../s1
• InChIKey: AJFKLNRTESZTNJ-XJMYNDDHSA-K
• XLogP: 42.03
• TPSA: 484.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 50
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4121.34
LogP ≤ 5	42.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?

The IUPAC name of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) (CID 157132376) is bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane).

What is the SMILES notation for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?

The canonical SMILES for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1ncco1.C[C@@H]1CCCC[C@H]1OC(CO)c1ccccc1.C[C@H]1CCCC[C@@H]1O.Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(O[C@H]1CCCC[C@@H]1C)c1ccccc1.Cc1c(Br)sc2[nH]c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)c12.Cc1c(Br)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CC(O[C@H]1CCCC[C@@H]1C)c1ccccc1.O=S(=O)(O[Al](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.S.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CO2)cc1.

What is the InChIKey of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?

The InChIKey is AJFKLNRTESZTNJ-XJMYNDDHSA-K. The full InChI is InChI=1S/C33H41N3O6S.C30H39BrN2O5S.4C18H15P.C15H19BrN2O4S.C15H22O2.C8H8O.C7H14O.3C4H9.C3H2NO.3CHF3O3S.Al.Pd.H2S.Sn/c1-20-13-11-12-16-23(20)41-24(22-14-9-8-10-15-22)19-35-29-25(21(2)26(43-29)27-34-17-18-40-27)28(37)36(31(35)39)33(6,7)30(38)42-32(3,4)5;1-18-13-11-12-16-21(18)37-22(20-14-9-8-10-15-20)17-32-26-23(19(2)24(31)39-26)25(34)33(28(32)36)30(6,7)27(35)38-29(3,4)5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-8-10(23-9(7)16)17-13(21)18(11(8)19)15(5,6)12(20)22-14(2,3)4;1-12-7-5-6-10-14(12)17-15(11-16)13-8-3-2-4-9-13;1-2-4-7(5-3-1)8-6-9-8;1-6-4-2-3-5-7(6)8;3*1-3-4-2;1-2-5-3-4-1;3*2-1(3,4)8(5,6)7;;;;/h8-10,14-15,17-18,20,23-24H,11-13,16,19H2,1-7H3;8-10,14-15,18,21-22H,11-13,16-17H2,1-7H3;4*1-15H;1-6H3,(H,17,21);2-4,8-9,12,14-16H,5-7,10-11H2,1H3;1-5,8H,6H2;6-8H,2-5H2,1H3;3*1,3-4H2,2H3;1-2H;3*(H,5,6,7);;;1H2;/q;;;;;;;;;;;;;;;;;+3;;;/p-3/t20-,23-,24?;18-,21-,22?;;;;;;12-,14-,15?;8-;6-,7-;;;;;;;;;;;/m00.....110.........../s1.

What are the key properties of bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane)?

bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 4121.34 g/mol, XLogP of 42.03, 50 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trifluoromethylsulfonyloxy)alumanyl trifluoromethanesulfonate;tert-butyl 2-(6-bromo-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methylpropanoate;tert-butyl 2-[6-bromo-5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoate;tert-butyl 2-methyl-2-[5-methyl-1-[2-[(1S,2S)-2-methylcyclohexyl]oxy-2-phenylethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoate;2-[(1R,2R)-2-methylcyclohexyl]oxy-2-phenylethanol;palladium;(2S)-2-phenyloxirane;sulfane;trans-(1S,2S)-2-methylcyclohexan-1-ol;tributyl(1,3-oxazol-2-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157132376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).