6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol

C145H216F2N8O11S — CID 157225791

IUPAC6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)cc(F)c2C1.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCCO)c2cc1F.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)NS(C)(=O)=O.CC(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.CCCC(C)(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.COCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.COc1cc(C(C)(C)C)cc2cc(C(C)(C)C)n(CC(O)CO)c12.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H31NO3.C20H31NO2.C20H31NO.C19H28FNO.C19H30N2O3S.C17H23F.C17H25NO.C13H17N/c1-19(2,3)14-8-13-9-17(20(4,5)6)21(11-15(23)12-22)18(13)16(10-14)24-7;1-19(2,3)15-8-9-17-14(10-15)11-18(20(4,5)6)21(17)12-16(22)13-23-7;1-7-10-20(5,6)18-14-15-13-16(19(2,3)4)8-9-17(15)21(18)11-12-22;1-18(2,3)14-10-13-11-17(19(4,5)6)21(8-7-9-22)16(13)12-15(14)20;1-18(2,3)14-8-9-15-13(10-14)11-16(19(4,5)6)21(15)12-17(22)20-25(7,23)24;1-16(2,3)12-7-11-8-13(17(4,5)6)10-15(18)14(11)9-12;1-12(2)16-11-13-10-14(17(3,4)5)6-7-15(13)18(16)8-9-19;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11/h8-10,15,22-23H,11-12H2,1-7H3;8-11,16,22H,12-13H2,1-7H3;8-9,13-14,22H,7,10-12H2,1-6H3;10-12,22H,7-9H2,1-6H3;8-11,17,20,22H,12H2,1-7H3;7-8,10H,9H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-9H,1-4H3
InChIKeyATNFJGRAHGFGNN-UHFFFAOYSA-N
MW2317.43 g/mol
LogP33.35
Rot. Bonds23

About 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol

6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol (PubChem CID 157225791) has the molecular formula C145H216F2N8O11S and a molecular weight of 2317.43 g/mol. Its IUPAC name is 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol
PubChem CID157225791
Molecular FormulaC145H216F2N8O11S
Molecular Weight2317.43 g/mol
Exact Mass2315.63
IUPAC Name6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)cc(F)c2C1.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCCO)c2cc1F.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)NS(C)(=O)=O.CC(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.CCCC(C)(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.COCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.COc1cc(C(C)(C)C)cc2cc(C(C)(C)C)n(CC(O)CO)c12.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H31NO3.C20H31NO2.C20H31NO.C19H28FNO.C19H30N2O3S.C17H23F.C17H25NO.C13H17N/c1-19(2,3)14-8-13-9-17(20(4,5)6)21(11-15(23)12-22)18(13)16(10-14)24-7;1-19(2,3)15-8-9-17-14(10-15)11-18(20(4,5)6)21(17)12-16(22)13-23-7;1-7-10-20(5,6)18-14-15-13-16(19(2,3)4)8-9-17(15)21(18)11-12-22;1-18(2,3)14-10-13-11-17(19(4,5)6)21(8-7-9-22)16(13)12-15(14)20;1-18(2,3)14-8-9-15-13(10-14)11-16(19(4,5)6)21(15)12-17(22)20-25(7,23)24;1-16(2,3)12-7-11-8-13(17(4,5)6)10-15(18)14(11)9-12;1-12(2)16-11-13-10-14(17(3,4)5)6-7-15(13)18(16)8-9-19;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11/h8-10,15,22-23H,11-12H2,1-7H3;8-11,16,22H,12-13H2,1-7H3;8-9,13-14,22H,7,10-12H2,1-6H3;10-12,22H,7-9H2,1-6H3;8-11,17,20,22H,12H2,1-7H3;7-8,10H,9H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-9H,1-4H3
InChIKeyATNFJGRAHGFGNN-UHFFFAOYSA-N
XLogP33.35
TPSA240.75 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002317.43
LogP ≤ 533.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol?
The IUPAC name of 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol (CID 157225791) is 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol.
What is the SMILES notation for 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol?
The canonical SMILES for 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol is CC(C)(C)C1=Cc2cc(C(C)(C)C)cc(F)c2C1.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCCO)c2cc1F.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)NS(C)(=O)=O.CC(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.CCCC(C)(C)c1cc2cc(C(C)(C)C)ccc2n1CCO.COCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.COc1cc(C(C)(C)C)cc2cc(C(C)(C)C)n(CC(O)CO)c12.Cn1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol?
The InChIKey is ATNFJGRAHGFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3.C20H31NO2.C20H31NO.C19H28FNO.C19H30N2O3S.C17H23F.C17H25NO.C13H17N/c1-19(2,3)14-8-13-9-17(20(4,5)6)21(11-15(23)12-22)18(13)16(10-14)24-7;1-19(2,3)15-8-9-17-14(10-15)11-18(20(4,5)6)21(17)12-16(22)13-23-7;1-7-10-20(5,6)18-14-15-13-16(19(2,3)4)8-9-17(15)21(18)11-12-22;1-18(2,3)14-10-13-11-17(19(4,5)6)21(8-7-9-22)16(13)12-15(14)20;1-18(2,3)14-8-9-15-13(10-14)11-16(19(4,5)6)21(15)12-17(22)20-25(7,23)24;1-16(2,3)12-7-11-8-13(17(4,5)6)10-15(18)14(11)9-12;1-12(2)16-11-13-10-14(17(3,4)5)6-7-15(13)18(16)8-9-19;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11/h8-10,15,22-23H,11-12H2,1-7H3;8-11,16,22H,12-13H2,1-7H3;8-9,13-14,22H,7,10-12H2,1-6H3;10-12,22H,7-9H2,1-6H3;8-11,17,20,22H,12H2,1-7H3;7-8,10H,9H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-9H,1-4H3.
What are the key properties of 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol?
6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol has a molecular weight of 2317.43 g/mol, XLogP of 33.35, 23 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methylindole;2-[5-tert-butyl-2-(2-methylpentan-2-yl)indol-1-yl]ethanol;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;N-[2-(2,5-ditert-butylindol-1-yl)-1-hydroxyethyl]methanesulfonamide;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;3-(2,5-ditert-butyl-7-methoxyindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 157225791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).