3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole

C198H269N3O9S3 — CID 159524322

IUPAC3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1cc(C(C)(C)C)c2ccsc2c1.CC(C)(C)c1cc(C(C)(C)C)c2occc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1=CC2C(=O)C(C(C)C)=COC2C=C1.CC(C)C1=CC2C(=O)C=C(C(C)C)OC2C=C1.CC(C)C1=CC2C(=O)C=COC2C(C(C)C)=C1.CC(C)c1cc(C(C)(C)C)c2cc[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)csc2c1.CC(C)c1ccc2cc(C(C)C)[nH]c2c1.CC(C)c1ccc2cc(C(C)C)sc2c1.CC(C)c1ccc2occ(C(C)(C)C)c2c1
InChIInChI=1S/C17H24.2C16H22O.C16H22S.2C15H21N.3C15H20O2.C15H20O.C15H20S.C14H19N.C14H18S/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)13(10-12)16(4,5)6;1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;1-10(2)11-8-13(15(3,4)5)12-6-7-16-14(12)9-11;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;1-9(2)11-7-12(10(3)4)15-13(8-11)14(16)5-6-17-15;1-9(2)11-5-6-14-12(7-11)13(16)8-15(17-14)10(3)4;1-9(2)11-5-6-14-12(7-11)15(16)13(8-17-14)10(3)4;1-10(2)11-6-7-14-12(8-11)13(9-16-14)15(3,4)5;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h7-8,10-11H,9H2,1-6H3;3*7-10H,1-6H3;2*6-10,16H,1-5H3;5-10,13,15H,1-4H3;2*5-10,12,14H,1-4H3;2*6-10H,1-5H3;5-10,15H,1-4H3;5-10H,1-4H3
InChIKeyMCEUZYUANJETCD-UHFFFAOYSA-N
MW2931.54 g/mol
LogP59.23
Rot. Bonds14

About 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole

3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole (PubChem CID 159524322) has the molecular formula C198H269N3O9S3 and a molecular weight of 2931.54 g/mol. Its IUPAC name is 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole.

Molecular Properties

Compound Name3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole
PubChem CID159524322
Molecular FormulaC198H269N3O9S3
Molecular Weight2931.54 g/mol
Exact Mass2928.98
IUPAC Name3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1cc(C(C)(C)C)c2ccsc2c1.CC(C)(C)c1cc(C(C)(C)C)c2occc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1=CC2C(=O)C(C(C)C)=COC2C=C1.CC(C)C1=CC2C(=O)C=C(C(C)C)OC2C=C1.CC(C)C1=CC2C(=O)C=COC2C(C(C)C)=C1.CC(C)c1cc(C(C)(C)C)c2cc[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)csc2c1.CC(C)c1ccc2cc(C(C)C)[nH]c2c1.CC(C)c1ccc2cc(C(C)C)sc2c1.CC(C)c1ccc2occ(C(C)(C)C)c2c1
InChIInChI=1S/C17H24.2C16H22O.C16H22S.2C15H21N.3C15H20O2.C15H20O.C15H20S.C14H19N.C14H18S/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)13(10-12)16(4,5)6;1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;1-10(2)11-8-13(15(3,4)5)12-6-7-16-14(12)9-11;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;1-9(2)11-7-12(10(3)4)15-13(8-11)14(16)5-6-17-15;1-9(2)11-5-6-14-12(7-11)13(16)8-15(17-14)10(3)4;1-9(2)11-5-6-14-12(7-11)15(16)13(8-17-14)10(3)4;1-10(2)11-6-7-14-12(8-11)13(9-16-14)15(3,4)5;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h7-8,10-11H,9H2,1-6H3;3*7-10H,1-6H3;2*6-10,16H,1-5H3;5-10,13,15H,1-4H3;2*5-10,12,14H,1-4H3;2*6-10H,1-5H3;5-10,15H,1-4H3;5-10H,1-4H3
InChIKeyMCEUZYUANJETCD-UHFFFAOYSA-N
XLogP59.23
TPSA165.69 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.54
LogP ≤ 559.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole
CID 159981026
2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-benzimidazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;2,6-ditert-butyl-2,3-dihydro-1-benzofuran;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole
CID 159818876
bis(2,6-ditert-butyl-3H-indole);bis(2,6-di(propan-2-yl)-1H-benzimidazole);2,6-di(propan-2-yl)-1H-indole
CID 161140157
5-tert-butyl-2-propan-2-yl-1H-indene;6-tert-butyl-2-propan-2-yl-3H-indole;2,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-thiazole
CID 159014061
bis(6-tert-butyl-2-propan-2-yl-3H-indole);2,6-ditert-butyl-3H-indole;bis(2,6-di(propan-2-yl)-1H-benzimidazole);tris(2,6-di(propan-2-yl)-1H-indole)
CID 158523423
bis(2,6-ditert-butyl-3H-indole);2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)-3H-indole
CID 159548511
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 160672955
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline
CID 167535046
3,6-ditert-butyl-1-benzothiophene
CID 59402895
2,6-di(propan-2-yl)-1H-indole
CID 59835911
2,6-di(propan-2-yl)acridine;2,6-di(propan-2-yl)anthracene;2,6-di(propan-2-yl)-1,5-dihydrocyclopenta[f]indole;2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-1,7-dihydropyrrolo[3,2-f]indole;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydrocyclopenta[f]indole;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indole;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydro-s-indacene;2,7-di(propan-2-yl)phenazine;2,6-di(propan-2-yl)-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran;2,6-di(propan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole
CID 161488418
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butyl-1H-1,2,4-triazole
CID 157378167

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole?
The IUPAC name of 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole (CID 159524322) is 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole.
What is the SMILES notation for 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole?
The canonical SMILES for 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole is CC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1cc(C(C)(C)C)c2ccsc2c1.CC(C)(C)c1cc(C(C)(C)C)c2occc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1=CC2C(=O)C(C(C)C)=COC2C=C1.CC(C)C1=CC2C(=O)C=C(C(C)C)OC2C=C1.CC(C)C1=CC2C(=O)C=COC2C(C(C)C)=C1.CC(C)c1cc(C(C)(C)C)c2cc[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)c1ccc2c(C(C)(C)C)csc2c1.CC(C)c1ccc2cc(C(C)C)[nH]c2c1.CC(C)c1ccc2cc(C(C)C)sc2c1.CC(C)c1ccc2occ(C(C)(C)C)c2c1.
What is the InChIKey of 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole?
The InChIKey is MCEUZYUANJETCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24.2C16H22O.C16H22S.2C15H21N.3C15H20O2.C15H20O.C15H20S.C14H19N.C14H18S/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-17-14(11)13(10-12)16(4,5)6;1-15(2,3)11-9-13(16(4,5)6)12-7-8-17-14(12)10-11;1-10(2)11-8-13(15(3,4)5)12-6-7-16-14(12)9-11;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;1-9(2)11-7-12(10(3)4)15-13(8-11)14(16)5-6-17-15;1-9(2)11-5-6-14-12(7-11)13(16)8-15(17-14)10(3)4;1-9(2)11-5-6-14-12(7-11)15(16)13(8-17-14)10(3)4;1-10(2)11-6-7-14-12(8-11)13(9-16-14)15(3,4)5;1-10(2)11-6-7-12-13(15(3,4)5)9-16-14(12)8-11;2*1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11/h7-8,10-11H,9H2,1-6H3;3*7-10H,1-6H3;2*6-10,16H,1-5H3;5-10,13,15H,1-4H3;2*5-10,12,14H,1-4H3;2*6-10H,1-5H3;5-10,15H,1-4H3;5-10H,1-4H3.
What are the key properties of 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole?
3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole has a molecular weight of 2931.54 g/mol, XLogP of 59.23, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propan-2-yl-1-benzofuran;3-tert-butyl-6-propan-2-yl-1-benzothiophene;3-tert-butyl-6-propan-2-yl-1H-indole;4-tert-butyl-6-propan-2-yl-1H-indole;2,5-ditert-butyl-1-benzofuran;5,7-ditert-butyl-1-benzofuran;4,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1H-indene;2,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;3,6-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;6,8-di(propan-2-yl)-4a,8a-dihydrochromen-4-one;2,6-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)-1H-indole is sourced from PubChem (CID 159524322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).