6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol

C144H195ClF4N2O3 — CID 157088302

IUPAC6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.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)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)CCO.CC(C)(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C21H32FNO.C20H31NO2.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H16/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;1-19(2,3)15-7-8-17-14(11-15)12-18(20(4,5)6)21(17)13-16(23)9-10-22;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;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12/h10-12,15,24H,8-9,13H2,1-7H3;7-8,11-12,16,22-23H,9-10,13H2,1-6H3;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;4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3
InChIKeyAEITZJMUSWHOID-UHFFFAOYSA-N
MW2113.60 g/mol
LogP39.73
Rot. Bonds9

About 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol

6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol (PubChem CID 157088302) has the molecular formula C144H195ClF4N2O3 and a molecular weight of 2113.60 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol
PubChem CID157088302
Molecular FormulaC144H195ClF4N2O3
Molecular Weight2113.60 g/mol
Exact Mass2111.48
IUPAC Name6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.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)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)CCO.CC(C)(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.CCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C21H32FNO.C20H31NO2.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H16/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;1-19(2,3)15-7-8-17-14(11-15)12-18(20(4,5)6)21(17)13-16(23)9-10-22;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;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12/h10-12,15,24H,8-9,13H2,1-7H3;7-8,11-12,16,22-23H,9-10,13H2,1-6H3;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;4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3
InChIKeyAEITZJMUSWHOID-UHFFFAOYSA-N
XLogP39.73
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002113.60
LogP ≤ 539.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol 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;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol (CID 157088302) is 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol is CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.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)c1ccc2c(c1)cc(C(C)(C)C)n2CC(O)CCO.CC(C)(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)(C)C)c21.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)c(F)cc21.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;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol?
The InChIKey is AEITZJMUSWHOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO.C20H31NO2.2C17H24.C15H20.C14H15F3.C14H18.C13H15Cl.C13H16/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;1-19(2,3)15-7-8-17-14(11-15)12-18(20(4,5)6)21(17)13-16(23)9-10-22;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;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12/h10-12,15,24H,8-9,13H2,1-7H3;7-8,11-12,16,22-23H,9-10,13H2,1-6H3;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;4,6-8H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol?
6-tert-butyl-5-chloro-1H-indene;6-tert-butyl-5-ethyl-1H-indene;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol has a molecular weight of 2113.60 g/mol, XLogP of 39.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 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;4-tert-butyl-1H-indene;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;3,6-ditert-butyl-1H-indene;5,6-ditert-butyl-1H-indene;4-(2,5-ditert-butylindol-1-yl)butane-1,3-diol is sourced from PubChem (CID 157088302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).