6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate

C131H170ClF4N11O4 — CID 159316931

IUPAC6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H24N2O.C16H21NO2.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-5-8-19-15(18)12-9-11-6-7-17-14(11)10-13(12)16(2,3)4;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-7,9-10,17H,5,8H2,1-4H3;7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3
InChIKeyLDGIBHWCHZZCSE-UHFFFAOYSA-N
MW2074.32 g/mol
LogP36.75
Rot. Bonds8

About 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate

6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate (PubChem CID 159316931) has the molecular formula C131H170ClF4N11O4 and a molecular weight of 2074.32 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate
PubChem CID159316931
Molecular FormulaC131H170ClF4N11O4
Molecular Weight2074.32 g/mol
Exact Mass2072.31
IUPAC Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H24N2O.C16H21NO2.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-5-8-19-15(18)12-9-11-6-7-17-14(11)10-13(12)16(2,3)4;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-7,9-10,17H,5,8H2,1-4H3;7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3
InChIKeyLDGIBHWCHZZCSE-UHFFFAOYSA-N
XLogP36.75
TPSA217.82 Ų
H-Bond Donors10
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002074.32
LogP ≤ 536.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[5-chloro-3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
CID 70685221
6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158131649
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158714512
3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate
CID 158724613
3-[[2-chloro-6-(trifluoromethyl)phenyl]-methoxymethyl]-1H-indole;3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole;4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoic acid;1H-indole;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]benzoate;molecular hydrogen
CID 158804252
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;4-(6-tert-butyl-1H-indol-5-yl)-N-[2-(dimethylamino)ethyl]benzamide;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158811087
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;2-methylpropyl 6-tert-butyl-1H-indole-5-carboxylate;3-propan-2-ylisoquinoline
CID 159031028
6-tert-butyl-5-chloro-1H-indole;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 159291767
hexakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[3-(cyclopropylmethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 159715849
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 159782672
N-[1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;N-[(1,5-dimethylpyrrol-2-yl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 159907066

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate (CID 159316931) is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate is CC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCCOC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate?
The InChIKey is LDGIBHWCHZZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H24N2O.C16H21NO2.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-5-8-19-15(18)12-9-11-6-7-17-14(11)10-13(12)16(2,3)4;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);6-7,9-10,17H,5,8H2,1-4H3;7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate?
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate has a molecular weight of 2074.32 g/mol, XLogP of 36.75, 8 rotatable bonds, 10 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;propyl 6-tert-butyl-1H-indole-5-carboxylate is sourced from PubChem (CID 159316931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).