4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole

C184H228ClN17O3 — CID 164984068

IUPAC4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COc1cc(C(C)(C)C)c2cc[nH]c2c1.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H18N2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN/c1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;5-8,14H,1-4H3;2*5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-7,14H,1-3H3
InChIKeyFXCSWKRFDRSZCY-UHFFFAOYSA-N
MW2761.42 g/mol
LogP49.80
Rot. Bonds8

About 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole

4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole (PubChem CID 164984068) has the molecular formula C184H228ClN17O3 and a molecular weight of 2761.42 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole.

Molecular Properties

Compound Name4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole
PubChem CID164984068
Molecular FormulaC184H228ClN17O3
Molecular Weight2761.42 g/mol
Exact Mass2758.79
IUPAC Name4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COc1cc(C(C)(C)C)c2cc[nH]c2c1.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H18N2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN/c1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;5-8,14H,1-4H3;2*5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-7,14H,1-3H3
InChIKeyFXCSWKRFDRSZCY-UHFFFAOYSA-N
XLogP49.80
TPSA229.48 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.42
LogP ≤ 549.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(7-chloro-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxy-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;methyl 4-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1H-indole-6-carboxylate;1-[1-methyl-3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(1-propan-2-ylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157832271
CID 157853018
CID 157853018
6-Chloro-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyridine
CID 159592097
6-chloro-3-(3,3-dimethyl-1,2-dihydroinden-2-yl)-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;2-(2-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 159678041
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline
CID 160089879
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-5-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
CID 160154721
1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methoxyisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160859753
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-5-(1-methylpyrazol-4-yl)-1H-indole;3-tert-butyl-1-propan-2-ylindole
CID 161266209
5,8-dimethyl-4H-chromene;5,8-dimethylcinnoline;4,7-dimethyl-2,3-dihydro-1H-indole;5,8-dimethylindolizine;4,7-dimethyl-2H-isoindole;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;3,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,8-dimethylisoquinoline;bis(2,6-dimethylnaphthalene);1,6-dimethyl-5H-pyrido[4,3-b]indole;6,9-dimethyl-5H-pyrido[4,3-b]indole;4,8-dimethylquinoline;5,8-dimethylquinoline
CID 161462802
4-tert-butyl-7-chloro-1H-indole;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 161736102
4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 163485710
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
CID 163907639

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole?
The IUPAC name of 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole (CID 164984068) is 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole.
What is the SMILES notation for 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole?
The canonical SMILES for 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole is C=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COc1cc(C(C)(C)C)c2cc[nH]c2c1.COc1ccc(C(C)(C)C)c2cnccc12.COc1cncc2c(C(C)(C)C)cccc12.Cc1[nH]c2cc(-c3cnn(C)c3)ccc2c1C(C)(C)C.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ccc(C(C)(C)C)c2cnccc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole?
The InChIKey is FXCSWKRFDRSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H18N2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN/c1-11-16(17(2,3)4)14-7-6-12(8-15(14)19-11)13-9-18-20(5)10-13;1-17(2,3)15-7-5-6-12-8-16(18-10-14(12)15)13-9-19-20(4)11-13;1-11(2)16-10-13(15(3,4)5)12-8-6-7-9-14(12)16;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)12-5-6-13(16-4)10-7-8-15-9-11(10)12;1-14(2,3)12-7-5-6-10-11(12)8-15-9-13(10)16-4;1-10-5-6-13(14(2,3)4)12-9-15-8-7-11(10)12;1-13(2,3)11-7-9(15-4)8-12-10(11)5-6-14-12;1-9-5-6-11(13(2,3)4)10-7-8-14-12(9)10;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;5-8,14H,1-4H3;2*5-8,14H,1-4H3;4-7,9H,8H2,1-3H3;4-7,14H,1-3H3.
What are the key properties of 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole?
4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole has a molecular weight of 2761.42 g/mol, XLogP of 49.80, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-chloro-1H-indole;8-tert-butyl-4-ethenylisoquinoline;7-tert-butyl-1H-indene;4-tert-butyl-6-methoxy-1H-indole;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;4-tert-butyl-7-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(3-tert-butylphenyl)-1-methylpyrazole;3-tert-butyl-1-propan-2-ylindole is sourced from PubChem (CID 164984068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).