1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane

C135H174N10O5 — CID 159193533

IUPAC1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane
SMILESC.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(Cc3ccccc3)c2c1.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)c1c(C(C)(C)C)ccc2cc[nH]c12.CCOC(=O)c1cc(C(C)(C)C)cc2[nH]ccc12.Cc1cc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C19H21N.2C16H23N.2C15H19NO2.C14H17NO.C13H14N2.2C13H17N.CH4/c1-19(2,3)17-10-9-16-11-12-20(18(16)13-17)14-15-7-5-4-6-8-15;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;1-5-18-14(17)12-8-10(15(2,3)4)9-13-11(12)6-7-16-13;1-5-18-14(17)12-11(15(2,3)4)7-6-10-8-9-16-13(10)12;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;/h4-13H,14H2,1-3H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;2*6-9,16H,5H2,1-4H3;5-9H,1-4H3;4-7,15H,1-3H3;5-8,14H,1-4H3;5-9H,1-4H3;1H4
InChIKeyKOJPSGVRLZYYOQ-UHFFFAOYSA-N
MW2016.94 g/mol
LogP36.83
Rot. Bonds8

About 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane

1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane (PubChem CID 159193533) has the molecular formula C135H174N10O5 and a molecular weight of 2016.94 g/mol. Its IUPAC name is 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane.

Molecular Properties

Compound Name1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane
PubChem CID159193533
Molecular FormulaC135H174N10O5
Molecular Weight2016.94 g/mol
Exact Mass2015.37
IUPAC Name1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane
SMILESC.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(Cc3ccccc3)c2c1.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)c1c(C(C)(C)C)ccc2cc[nH]c12.CCOC(=O)c1cc(C(C)(C)C)cc2[nH]ccc12.Cc1cc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C19H21N.2C16H23N.2C15H19NO2.C14H17NO.C13H14N2.2C13H17N.CH4/c1-19(2,3)17-10-9-16-11-12-20(18(16)13-17)14-15-7-5-4-6-8-15;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;1-5-18-14(17)12-8-10(15(2,3)4)9-13-11(12)6-7-16-13;1-5-18-14(17)12-11(15(2,3)4)7-6-10-8-9-16-13(10)12;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;/h4-13H,14H2,1-3H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;2*6-9,16H,5H2,1-4H3;5-9H,1-4H3;4-7,15H,1-3H3;5-8,14H,1-4H3;5-9H,1-4H3;1H4
InChIKeyKOJPSGVRLZYYOQ-UHFFFAOYSA-N
XLogP36.83
TPSA202.99 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.94
LogP ≤ 536.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane?
The IUPAC name of 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane (CID 159193533) is 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane.
What is the SMILES notation for 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane?
The canonical SMILES for 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane is C.CC(=O)n1ccc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2ccn(Cc3ccccc3)c2c1.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)c1c(C(C)(C)C)ccc2cc[nH]c12.CCOC(=O)c1cc(C(C)(C)C)cc2[nH]ccc12.Cc1cc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane?
The InChIKey is KOJPSGVRLZYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.2C16H23N.2C15H19NO2.C14H17NO.C13H14N2.2C13H17N.CH4/c1-19(2,3)17-10-9-16-11-12-20(18(16)13-17)14-15-7-5-4-6-8-15;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;1-5-18-14(17)12-8-10(15(2,3)4)9-13-11(12)6-7-16-13;1-5-18-14(17)12-11(15(2,3)4)7-6-10-8-9-16-13(10)12;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;/h4-13H,14H2,1-3H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;2*6-9,16H,5H2,1-4H3;5-9H,1-4H3;4-7,15H,1-3H3;5-8,14H,1-4H3;5-9H,1-4H3;1H4.
What are the key properties of 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane?
1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane has a molecular weight of 2016.94 g/mol, XLogP of 36.83, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-tert-butylindole;3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;methane is sourced from PubChem (CID 159193533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).