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

C183H207F8N5O10S2 — CID 159585925

About 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

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 (PubChem CID 159585925) has the molecular formula C183H207F8N5O10S2 and a molecular weight of 2852.81 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159585925
• Molecular Formula: C183H207F8N5O10S2
• Molecular Weight: 2852.81 g/mol
• Exact Mass: 2850.52
• IUPAC Name: 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
• SMILES: 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)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.CSc1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)n1
• InChI: InChI=1S/4C19H21FO.C18H21FS.4C18H21NO.C17H18F3NO2S/c4*1-12-8-6-7-9-15(12)16-10-14(13(2)21)11-17(18(16)20)19(3,4)5;1-12-9-10-13(20-5)11-15(12)14-7-6-8-16(17(14)19)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;1-11-8-9-12(24(22,23)17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4/h4*6-11H,1-5H3;5*6-11H,1-5H3;5-10H,1-4H3
• InChIKey: MJPOFEHJCNAEJE-UHFFFAOYSA-N
• XLogP: 49.90
• TPSA: 235.15 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.81
LogP ≤ 5	49.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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)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.CSc1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.

What is the InChIKey of 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?

The InChIKey is MJPOFEHJCNAEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H21FO.C18H21FS.4C18H21NO.C17H18F3NO2S/c4*1-12-8-6-7-9-15(12)16-10-14(13(2)21)11-17(18(16)20)19(3,4)5;1-12-9-10-13(20-5)11-15(12)14-7-6-8-16(17(14)19)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;1-11-8-9-12(24(22,23)17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4/h4*6-11H,1-5H3;5*6-11H,1-5H3;5-10H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 2852.81 g/mol, XLogP of 49.90, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159585925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).