4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole

C254H341Cl3F3N11O2S12 — CID 158546072

IUPAC4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CCc1ccc(C(C)C)c(C)c1.CCc1ccc(C(C)C)cc1C.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.CCc1cnc(C(C)C)cc1Cl.CCc1cnc(C(C)C)cc1F.CSc1ccc(C(C)C)c(C)c1.CSc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1Cl.CSc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)nc1.CSc1cnc(C(C)C)c(C)c1.CSc1cnc(C(C)C)cc1C.CSc1cnc(C(C)C)cc1Cl.CSc1cnc(C(C)C)cc1F
InChIInChI=1S/2C12H14.2C12H18.C11H13N.2C11H17N.2C11H12O.2C11H12S.2C11H16S.C10H14ClN.C10H13ClS.C10H14FN.C10H13FS.2C10H15NS.C10H15N.C10H14S.C9H12ClNS.C9H12FNS.C9H13NS/c2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-5-11-6-7-12(9(2)3)8-10(11)4;1-5-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)10(12-4)6-11-9;1-7(2)10-8(3)5-9(12-4)6-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-6(2)8-4-7(10)9(12-3)5-11-8;1-7(2)9-5-4-8(11-3)6-10-9/h2*3,5-9H,4H2,1-2H3;2*6-9H,5H2,1-4H3;3-8,12H,1-2H3;2*6-8H,5H2,1-4H3;4*3-8H,1-2H3;2*5-8H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3
InChIKeyHPCYKWVPRLGNHG-UHFFFAOYSA-N
MW4128.75 g/mol
LogP82.93
Rot. Bonds41

About 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole

4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole (PubChem CID 158546072) has the molecular formula C254H341Cl3F3N11O2S12 and a molecular weight of 4128.75 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole
PubChem CID158546072
Molecular FormulaC254H341Cl3F3N11O2S12
Molecular Weight4128.75 g/mol
Exact Mass4123.26
IUPAC Name4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CCc1ccc(C(C)C)c(C)c1.CCc1ccc(C(C)C)cc1C.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.CCc1cnc(C(C)C)cc1Cl.CCc1cnc(C(C)C)cc1F.CSc1ccc(C(C)C)c(C)c1.CSc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1Cl.CSc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)nc1.CSc1cnc(C(C)C)c(C)c1.CSc1cnc(C(C)C)cc1C.CSc1cnc(C(C)C)cc1Cl.CSc1cnc(C(C)C)cc1F
InChIInChI=1S/2C12H14.2C12H18.C11H13N.2C11H17N.2C11H12O.2C11H12S.2C11H16S.C10H14ClN.C10H13ClS.C10H14FN.C10H13FS.2C10H15NS.C10H15N.C10H14S.C9H12ClNS.C9H12FNS.C9H13NS/c2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-5-11-6-7-12(9(2)3)8-10(11)4;1-5-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)10(12-4)6-11-9;1-7(2)10-8(3)5-9(12-4)6-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-6(2)8-4-7(10)9(12-3)5-11-8;1-7(2)9-5-4-8(11-3)6-10-9/h2*3,5-9H,4H2,1-2H3;2*6-9H,5H2,1-4H3;3-8,12H,1-2H3;2*6-8H,5H2,1-4H3;4*3-8H,1-2H3;2*5-8H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3
InChIKeyHPCYKWVPRLGNHG-UHFFFAOYSA-N
XLogP82.93
TPSA170.97 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004128.75
LogP ≤ 582.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-(4-acetylphenyl)-1-[(1S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone;1-[2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-2-[4-(1-methoxyethenylamino)phenyl]ethanone;2-chloro-5-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 161642904
CID 157049770
CID 157049770
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157679396
3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;6-fluoro-2-methylthieno[2,3-b]pyridine
CID 157828576
6,19,32-Triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene;6,19,32-trioxadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene;6,19,32-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene
CID 157867312
methane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;3-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 157973826
4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole
CID 158006802
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole
CID 158244242
6,9,18,21,30,33-Hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(36),2,4,7,10,12,14,16,19,22,24,26,28,31,34-pentadecaene;6,19,32-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene;6,19,32-trioxadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene;6,19,32-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3(7),4,8,10,12,14,16(20),17,21,23,25,27,29(33),30,34,36,38-octadecaene
CID 158342594
6-chloro-3-(2,2-dimethylpropyl)chromen-4-one;5-chloro-2-(2,2-dimethylpropyl)pyridine;6-(2,2-dimethylpropyl)-1-benzofuran;2-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-1-benzothiophene;3-(2,2-dimethylpropyl)chromen-4-one;6-(2,2-dimethylpropyl)-1H-indole;3-(2,2-dimethylpropyl)-1-methylindole;6-(2,2-dimethylpropyl)-1-methylindole;2-(2,2-dimethylpropyl)quinoline;6-(2,2-dimethylpropyl)quinoline
CID 158540100
3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene
CID 158663422
5,6-ditert-butyl-1-benzofuran;5,6-ditert-butyl-2-benzofuran;5,6-ditert-butyl-1-benzothiophene;5,6-ditert-butyl-2-benzothiophene;2,3-ditert-butyl-4H-cyclopenta[c]pyrrole;4,5-ditert-butyl-2H-indene;5,6-ditert-butyl-2H-indene;1,2-ditert-butylindole;2,3-ditert-butyl-1H-indole;4,5-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole;6,7-ditert-butyl-1H-indole;2,3-ditert-butylindolizine;6,7-ditert-butylindolizine;7,8-ditert-butylindolizine;1,2-ditert-butylisoindole;2,3-ditert-butylthieno[3,2-b]furan;4,5-ditert-butylthieno[2,3-c]pyrrole;methane
CID 158851740

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole?
The IUPAC name of 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole (CID 158546072) is 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole.
What is the SMILES notation for 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole?
The canonical SMILES for 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole is CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CCc1ccc(C(C)C)c(C)c1.CCc1ccc(C(C)C)cc1C.CCc1ccc(C(C)C)nc1.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.CCc1cnc(C(C)C)cc1Cl.CCc1cnc(C(C)C)cc1F.CSc1ccc(C(C)C)c(C)c1.CSc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1Cl.CSc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)nc1.CSc1cnc(C(C)C)c(C)c1.CSc1cnc(C(C)C)cc1C.CSc1cnc(C(C)C)cc1Cl.CSc1cnc(C(C)C)cc1F.
What is the InChIKey of 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole?
The InChIKey is HPCYKWVPRLGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14.2C12H18.C11H13N.2C11H17N.2C11H12O.2C11H12S.2C11H16S.C10H14ClN.C10H13ClS.C10H14FN.C10H13FS.2C10H15NS.C10H15N.C10H14S.C9H12ClNS.C9H12FNS.C9H13NS/c2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-5-11-6-7-12(9(2)3)8-10(11)4;1-5-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-4-8-6-12-10(7(2)3)5-9(8)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)10(12-4)6-11-9;1-7(2)10-8(3)5-9(12-4)6-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-6(2)8-4-7(10)9(12-3)5-11-8;1-7(2)9-5-4-8(11-3)6-10-9/h2*3,5-9H,4H2,1-2H3;2*6-9H,5H2,1-4H3;3-8,12H,1-2H3;2*6-8H,5H2,1-4H3;4*3-8H,1-2H3;2*5-8H,1-4H3;5-7H,4H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3.
What are the key properties of 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole?
4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole has a molecular weight of 4128.75 g/mol, XLogP of 82.93, 41 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-propan-2-ylpyridine;2-chloro-1-methylsulfanyl-4-propan-2-ylbenzene;4-chloro-5-methylsulfanyl-2-propan-2-ylpyridine;5-ethyl-4-fluoro-2-propan-2-ylpyridine;1-ethyl-2-methyl-4-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-fluoro-1-methylsulfanyl-4-propan-2-ylbenzene;4-fluoro-5-methylsulfanyl-2-propan-2-ylpyridine;2-methyl-1-methylsulfanyl-4-propan-2-ylbenzene;2-methyl-4-methylsulfanyl-1-propan-2-ylbenzene;3-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;4-methyl-5-methylsulfanyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene;5-methylsulfanyl-2-propan-2-ylpyridine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-1H-indene);6-propan-2-yl-1H-indole is sourced from PubChem (CID 158546072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).