6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole

C89H103N9 — CID 159481424

IUPAC6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C18H19N.C17H18N2.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-12,19H,1-3H3;4-11,19H,1-3H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3
InChIKeyLXAYHRAQOZGWKJ-UHFFFAOYSA-N
MW1298.87 g/mol
LogP24.33
Rot. Bonds4

About 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole

6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole (PubChem CID 159481424) has the molecular formula C89H103N9 and a molecular weight of 1298.87 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
PubChem CID159481424
Molecular FormulaC89H103N9
Molecular Weight1298.87 g/mol
Exact Mass1297.83
IUPAC Name6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C18H19N.C17H18N2.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-12,19H,1-3H3;4-11,19H,1-3H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3
InChIKeyLXAYHRAQOZGWKJ-UHFFFAOYSA-N
XLogP24.33
TPSA155.21 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.87
LogP ≤ 524.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole with MolForge

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Related Compounds

6-tert-butyl-5-(4-chloro-2-methoxyphenyl)-1H-indole;6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
CID 158528373
2-[6-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-3-yl]acetonitrile
CID 166371918
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
5,6-diphenyl-1H-indole
CID 174399063
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
4-phenyl-1H-indole-3-carbonitrile
CID 58437496
2-[3-pyridin-3-yl-4-(trifluoromethyl)phenyl]acetonitrile
CID 46316261
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?
The IUPAC name of 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole (CID 159481424) is 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?
The canonical SMILES for 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?
The InChIKey is LXAYHRAQOZGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C17H18N2.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-12,19H,1-3H3;4-11,19H,1-3H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3.
What are the key properties of 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole?
6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole has a molecular weight of 1298.87 g/mol, XLogP of 24.33, 4 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole is sourced from PubChem (CID 159481424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).