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

C207H256ClN19O5 — CID 163485710

IUPAC4-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
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.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
InChIInChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H17NO2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN.C12H15N.C11H14N2/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)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;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/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-8,15H,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;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyCIITVABAMSSPJM-UHFFFAOYSA-N
MW3125.91 g/mol
LogP56.00
Rot. Bonds8

About 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

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 (PubChem CID 163485710) has the molecular formula C207H256ClN19O5 and a molecular weight of 3125.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID163485710
Molecular FormulaC207H256ClN19O5
Molecular Weight3125.91 g/mol
Exact Mass3123.01
IUPAC Name4-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
SMILESC=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.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
InChIInChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H17NO2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN.C12H15N.C11H14N2/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)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;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/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-8,15H,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;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyCIITVABAMSSPJM-UHFFFAOYSA-N
XLogP56.00
TPSA298.22 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003125.91
LogP ≤ 556.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 158308008
8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 161236199
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
1-(2-aminoethyl)-5-[(3-chloro-4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-aminoethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-aminopropyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(6-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 159681025
1-(2-aminoethyl)-5-[(3-chloro-4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-aminoethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-amino-2-hydroxypropyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(6-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 160437078
CID 161529654
CID 161529654
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
1-(2-aminoethyl)-5-[(3-chloro-4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-aminoethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(3-amino-2-hydroxypropyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(6-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane
CID 161945049
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
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indene;4-tert-butyl-1H-indole;(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 165068817
1-[3-(7-chloro-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(7-methyl-1H-indol-4-yl)-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;1-[1-methyl-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 165088844

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1cncc2c(C(C)(C)C)cccc12.CC(C)(C)c1ccc(Cl)c2[nH]ccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)n1cc(C(C)(C)C)c2ccccc21.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.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.
What is the InChIKey of 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?
The InChIKey is CIITVABAMSSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.C17H19N3.C15H21N.C15H17N.C14H17NO2.2C14H17NO.C14H17N.C13H17NO.2C13H17N.C13H16.C12H14ClN.C12H15N.C11H14N2/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)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;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;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/h6-10,19H,1-5H3;5-11H,1-4H3;6-11H,1-5H3;5-10H,1H2,2-4H3;5-8,15H,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;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;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?
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 has a molecular weight of 3125.91 g/mol, XLogP of 56.00, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163485710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).