4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate

C185H229ClN24O5S — CID 158383924

IUPAC4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
SMILESCC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc(CC(C)(C)C)c(N)c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C15H21N3.C14H18N2.C14H17NO2.C13H17NO.C13H17N.C12H14ClN.C12H14N2O2.C12H15N.C11H14N2/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-15(2,3)8-12-6-5-11(7-14(12)16)13-9-17-18(4)10-13;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-7,9-10H,8,16H2,1-4H3;5-10H,1-4H3;5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyGWDFHIPJIGKQDZ-UHFFFAOYSA-N
MW2936.55 g/mol
LogP46.94
Rot. Bonds10

About 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate

4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate (PubChem CID 158383924) has the molecular formula C185H229ClN24O5S and a molecular weight of 2936.55 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate.

Molecular Properties

Compound Name4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
PubChem CID158383924
Molecular FormulaC185H229ClN24O5S
Molecular Weight2936.55 g/mol
Exact Mass2933.78
IUPAC Name4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
SMILESCC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc(CC(C)(C)C)c(N)c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C15H21N3.C14H18N2.C14H17NO2.C13H17NO.C13H17N.C12H14ClN.C12H14N2O2.C12H15N.C11H14N2/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-15(2,3)8-12-6-5-11(7-14(12)16)13-9-17-18(4)10-13;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-7,9-10H,8,16H2,1-4H3;5-10H,1-4H3;5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyGWDFHIPJIGKQDZ-UHFFFAOYSA-N
XLogP46.94
TPSA365.65 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002936.55
LogP ≤ 546.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate with MolForge

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Related Compounds

4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;3-tert-butyl-2-methyl-6-(1-methylpyrrol-3-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 158088704
4-tert-butyl-7-chloro-1H-indole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-3a,7a-dihydro-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 160947105
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 163657678
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 165075239
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 165107900

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The IUPAC name of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate (CID 158383924) is 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate.
What is the SMILES notation for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The canonical SMILES for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate is CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.COc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ccc(C(C)(C)C)c2cc[nH]c12.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2ccc(CC(C)(C)C)c(N)c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1.
What is the InChIKey of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate?
The InChIKey is GWDFHIPJIGKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C18H22N2.C17H18N2S.C16H17N3.C15H21N3.C14H18N2.C14H17NO2.C13H17NO.C13H17N.C12H14ClN.C12H14N2O2.C12H15N.C11H14N2/c1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-15(2,3)8-12-6-5-11(7-14(12)16)13-9-17-18(4)10-13;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-7,9-10H,8,16H2,1-4H3;5-10H,1-4H3;5-8,15H,1-4H3;5-8,14H,1-4H3;5-8,14H,1-4H3;4-7,14H,1-3H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate?
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate has a molecular weight of 2936.55 g/mol, XLogP of 46.94, 10 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate is sourced from PubChem (CID 158383924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).