6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane

C209H285ClF6N4O3 — CID 158842900

IUPAC6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane
SMILESC.C.CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)cc(C#N)c2C1.CC(C)(C)c1cc2c(cc1C(C)(C)C)CC=C2.CC(C)(C)c1cc2c(cc1C(F)(F)F)C=CC2.CC(C)(C)c1cc2c(cc1Cl)C=CC2.CC(C)(C)c1cc2c(cc1F)C=CC2.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.CCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C21H32FNO.C21H33NO.C18H26FNO.C18H23N.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H15F.2C13H16.2CH4/c1-8-9-15(24)13-23-18-12-17(22)16(20(2,3)4)10-14(18)11-19(23)21(5,6)7;1-8-9-17(23)14-22-18-11-10-16(20(2,3)4)12-15(18)13-19(22)21(5,6)7;1-17(2,3)13-9-12-10-16(18(4,5)6)20(7-8-21)15(12)11-14(13)19;1-17(2,3)14-7-12-8-15(18(4,5)6)10-16(12)13(9-14)11-19;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-5-11-9-12-7-6-8-13(12)10-14(11)15(2,3)4;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;2*1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;;/h10-12,15,24H,8-9,13H2,1-7H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;8-11H,7H2,1-6H3;7-8,10-11H,9H2,1-6H3;6-7,9-10H,5,8H2,1-4H3;4,6-8H,5H2,1-3H3;5-8H,9H2,1-4H3;2*4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;2*1H4
InChIKeyIYLVDOMFIDSRGS-UHFFFAOYSA-N
MW3051.04 g/mol
LogP58.87
Rot. Bonds11

About 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane

6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane (PubChem CID 158842900) has the molecular formula C209H285ClF6N4O3 and a molecular weight of 3051.04 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane
PubChem CID158842900
Molecular FormulaC209H285ClF6N4O3
Molecular Weight3051.04 g/mol
Exact Mass3048.19
IUPAC Name6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane
SMILESC.C.CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)cc(C#N)c2C1.CC(C)(C)c1cc2c(cc1C(C)(C)C)CC=C2.CC(C)(C)c1cc2c(cc1C(F)(F)F)C=CC2.CC(C)(C)c1cc2c(cc1Cl)C=CC2.CC(C)(C)c1cc2c(cc1F)C=CC2.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.CCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C21H32FNO.C21H33NO.C18H26FNO.C18H23N.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H15F.2C13H16.2CH4/c1-8-9-15(24)13-23-18-12-17(22)16(20(2,3)4)10-14(18)11-19(23)21(5,6)7;1-8-9-17(23)14-22-18-11-10-16(20(2,3)4)12-15(18)13-19(22)21(5,6)7;1-17(2,3)13-9-12-10-16(18(4,5)6)20(7-8-21)15(12)11-14(13)19;1-17(2,3)14-7-12-8-15(18(4,5)6)10-16(12)13(9-14)11-19;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-5-11-9-12-7-6-8-13(12)10-14(11)15(2,3)4;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;2*1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;;/h10-12,15,24H,8-9,13H2,1-7H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;8-11H,7H2,1-6H3;7-8,10-11H,9H2,1-6H3;6-7,9-10H,5,8H2,1-4H3;4,6-8H,5H2,1-3H3;5-8H,9H2,1-4H3;2*4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;2*1H4
InChIKeyIYLVDOMFIDSRGS-UHFFFAOYSA-N
XLogP58.87
TPSA99.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms223
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003051.04
LogP ≤ 558.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane (CID 158842900) is 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane is C.C.CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)cc(C#N)c2C1.CC(C)(C)c1cc2c(cc1C(C)(C)C)CC=C2.CC(C)(C)c1cc2c(cc1C(F)(F)F)C=CC2.CC(C)(C)c1cc2c(cc1Cl)C=CC2.CC(C)(C)c1cc2c(cc1F)C=CC2.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.CCc1cc2c(cc1C(C)(C)C)CC=C2.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane?
The InChIKey is IYLVDOMFIDSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO.C21H33NO.C18H26FNO.C18H23N.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H15F.2C13H16.2CH4/c1-8-9-15(24)13-23-18-12-17(22)16(20(2,3)4)10-14(18)11-19(23)21(5,6)7;1-8-9-17(23)14-22-18-11-10-16(20(2,3)4)12-15(18)13-19(22)21(5,6)7;1-17(2,3)13-9-12-10-16(18(4,5)6)20(7-8-21)15(12)11-14(13)19;1-17(2,3)14-7-12-8-15(18(4,5)6)10-16(12)13(9-14)11-19;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-5-11-9-12-7-6-8-13(12)10-14(11)15(2,3)4;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;2*1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;;/h10-12,15,24H,8-9,13H2,1-7H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;8-11H,7H2,1-6H3;7-8,10-11H,9H2,1-6H3;6-7,9-10H,5,8H2,1-4H3;4,6-8H,5H2,1-3H3;5-8H,9H2,1-4H3;2*4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;2*1H4.
What are the key properties of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane?
6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane has a molecular weight of 3051.04 g/mol, XLogP of 58.87, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;6-tert-butyl-5-fluoro-1H-indene;4-tert-butyl-1H-indene;7-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol;methane is sourced from PubChem (CID 158842900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).