1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide

C216H244Cl2F8N8O14S4 — CID 157128751

IUPAC1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
SMILESCC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/3C19H21FO.C18H18ClFO.C18H21FS.C18H22N2O3S.4C18H21NO.C17H21NOS.C16H15ClF3NO2S/c3*1-12-8-6-7-9-15(12)16-10-14(13(2)21)11-17(18(16)20)19(3,4)5;1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12-9-10-13(20-5)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;4*1-12-8-6-7-9-15(12)16-10-14(13(2)20)11-17(19-16)18(3,4)5;1-12-9-10-13(20(5)19)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20/h3*6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3,(H,20,21);5*6-11H,1-5H3;4-9H,1-3H3
InChIKeyAIUQCCPURRVPJU-UHFFFAOYSA-N
MW3527.53 g/mol
LogP57.73
Rot. Bonds25

About 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide

1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide (PubChem CID 157128751) has the molecular formula C216H244Cl2F8N8O14S4 and a molecular weight of 3527.53 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
PubChem CID157128751
Molecular FormulaC216H244Cl2F8N8O14S4
Molecular Weight3527.53 g/mol
Exact Mass3523.68
IUPAC Name1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
SMILESCC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/3C19H21FO.C18H18ClFO.C18H21FS.C18H22N2O3S.4C18H21NO.C17H21NOS.C16H15ClF3NO2S/c3*1-12-8-6-7-9-15(12)16-10-14(13(2)21)11-17(18(16)20)19(3,4)5;1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12-9-10-13(20-5)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;4*1-12-8-6-7-9-15(12)16-10-14(13(2)20)11-17(19-16)18(3,4)5;1-12-9-10-13(20(5)19)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20/h3*6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3,(H,20,21);5*6-11H,1-5H3;4-9H,1-3H3
InChIKeyAIUQCCPURRVPJU-UHFFFAOYSA-N
XLogP57.73
TPSA341.24 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003527.53
LogP ≤ 557.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide with MolForge

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Related Compounds

N-[[2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridin-4-yl]methylsulfonyl]-3-(6-tert-butylpyridin-2-yl)-4-chlorobenzamide
CID 130410087
2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 158575302
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
CID 158957645
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 159546733
1-Tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine
CID 159585925
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159970418
tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
CID 160304779
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 160365142
1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinylmethanesulfonamide
CID 160960832
2-Tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161069300
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 161213588
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161471042

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide (CID 157128751) is 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide is CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)=O)cc1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The InChIKey is AIUQCCPURRVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H21FO.C18H18ClFO.C18H21FS.C18H22N2O3S.4C18H21NO.C17H21NOS.C16H15ClF3NO2S/c3*1-12-8-6-7-9-15(12)16-10-14(13(2)21)11-17(18(16)20)19(3,4)5;1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12-9-10-13(20-5)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;4*1-12-8-6-7-9-15(12)16-10-14(13(2)20)11-17(19-16)18(3,4)5;1-12-9-10-13(20(5)19)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20/h3*6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3,(H,20,21);5*6-11H,1-5H3;4-9H,1-3H3.
What are the key properties of 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide has a molecular weight of 3527.53 g/mol, XLogP of 57.73, 25 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 157128751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).