1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole

C86H108F4N4O2S — CID 158170397

IUPAC1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1cccn1S(=O)(=O)c1ccccc1.CC(C)c1ccc(-n2ccnc2)cc1.CCC.CCn1c2ccccc2c2ccc(CC(C)C)cc21.Cc1cccc(C)c1CC(C)C
InChIInChI=1S/C18H21N.C16H18.C14H17NO2S.C12H14N2.C12H18.C11H12F4.C3H8/c1-4-19-17-8-6-5-7-15(17)16-10-9-14(11-13(2)3)12-18(16)19;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)11-13-7-6-10-15(13)18(16,17)14-8-4-3-5-9-14;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)8-12-10(3)6-5-7-11(12)4;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-3-2/h5-10,12-13H,4,11H2,1-3H3;3-13,16H,1-2H3;3-10,12H,11H2,1-2H3;3-10H,1-2H3;5-7,9H,8H2,1-4H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3
InChIKeyFXJLZJBIJOYXKL-UHFFFAOYSA-N
MW1337.89 g/mol
LogP24.37
Rot. Bonds16

About 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole

1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole (PubChem CID 158170397) has the molecular formula C86H108F4N4O2S and a molecular weight of 1337.89 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole
PubChem CID158170397
Molecular FormulaC86H108F4N4O2S
Molecular Weight1337.89 g/mol
Exact Mass1336.81
IUPAC Name1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1cccn1S(=O)(=O)c1ccccc1.CC(C)c1ccc(-n2ccnc2)cc1.CCC.CCn1c2ccccc2c2ccc(CC(C)C)cc21.Cc1cccc(C)c1CC(C)C
InChIInChI=1S/C18H21N.C16H18.C14H17NO2S.C12H14N2.C12H18.C11H12F4.C3H8/c1-4-19-17-8-6-5-7-15(17)16-10-9-14(11-13(2)3)12-18(16)19;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)11-13-7-6-10-15(13)18(16,17)14-8-4-3-5-9-14;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)8-12-10(3)6-5-7-11(12)4;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-3-2/h5-10,12-13H,4,11H2,1-3H3;3-13,16H,1-2H3;3-10,12H,11H2,1-2H3;3-10H,1-2H3;5-7,9H,8H2,1-4H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3
InChIKeyFXJLZJBIJOYXKL-UHFFFAOYSA-N
XLogP24.37
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.89
LogP ≤ 524.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole (CID 158170397) is 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole is CC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1cccn1S(=O)(=O)c1ccccc1.CC(C)c1ccc(-n2ccnc2)cc1.CCC.CCn1c2ccccc2c2ccc(CC(C)C)cc21.Cc1cccc(C)c1CC(C)C.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole?
The InChIKey is FXJLZJBIJOYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C16H18.C14H17NO2S.C12H14N2.C12H18.C11H12F4.C3H8/c1-4-19-17-8-6-5-7-15(17)16-10-9-14(11-13(2)3)12-18(16)19;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-12(2)11-13-7-6-10-15(13)18(16,17)14-8-4-3-5-9-14;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)8-12-10(3)6-5-7-11(12)4;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-3-2/h5-10,12-13H,4,11H2,1-3H3;3-13,16H,1-2H3;3-10,12H,11H2,1-2H3;3-10H,1-2H3;5-7,9H,8H2,1-4H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole?
1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole has a molecular weight of 1337.89 g/mol, XLogP of 24.37, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 158170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).