6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol

C176H240ClF8N5O5 — CID 158694795

IUPAC6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)c(F)cc2C1.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)c1cc2cc(C(C)(C)C)n(C3CCOCC3)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CC(O)CCO)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC1(C2=Cc3cc(C(C)(C)C)c(F)cc3C2)CC1.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C21H30FNO.C21H33NO.C20H30FNO2.C18H26FNO.C18H23N.C17H21F.C17H23F.C17H24.C14H15F3.C13H15Cl/c1-20(2,3)16-11-14-12-19(21(4,5)6)23(18(14)13-17(16)22)15-7-9-24-10-8-15;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;1-19(2,3)15-9-13-10-18(20(4,5)6)22(12-14(24)7-8-23)17(13)11-16(15)21;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)14-9-11-7-13(17(4)5-6-17)8-12(11)10-15(14)18;1-16(2,3)13-7-11-9-14(17(4,5)6)15(18)10-12(11)8-13;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h11-13,15H,7-10H2,1-6H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,14,23-24H,7-8,12H2,1-6H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;7,9-10H,5-6,8H2,1-4H3;7,9-10H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;4,6-8H,5H2,1-3H3;4,6-8H,5H2,1-3H3
InChIKeyIGUNCWZTGORVJF-UHFFFAOYSA-N
MW2693.32 g/mol
LogP48.05
Rot. Bonds12

About 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol

6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol (PubChem CID 158694795) has the molecular formula C176H240ClF8N5O5 and a molecular weight of 2693.32 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol
PubChem CID158694795
Molecular FormulaC176H240ClF8N5O5
Molecular Weight2693.32 g/mol
Exact Mass2690.82
IUPAC Name6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol
SMILESCC(C)(C)C1=Cc2cc(C(C)(C)C)c(F)cc2C1.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)c1cc2cc(C(C)(C)C)n(C3CCOCC3)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CC(O)CCO)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC1(C2=Cc3cc(C(C)(C)C)c(F)cc3C2)CC1.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C21H30FNO.C21H33NO.C20H30FNO2.C18H26FNO.C18H23N.C17H21F.C17H23F.C17H24.C14H15F3.C13H15Cl/c1-20(2,3)16-11-14-12-19(21(4,5)6)23(18(14)13-17(16)22)15-7-9-24-10-8-15;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;1-19(2,3)15-9-13-10-18(20(4,5)6)22(12-14(24)7-8-23)17(13)11-16(15)21;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)14-9-11-7-13(17(4)5-6-17)8-12(11)10-15(14)18;1-16(2,3)13-7-11-9-14(17(4,5)6)15(18)10-12(11)8-13;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h11-13,15H,7-10H2,1-6H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,14,23-24H,7-8,12H2,1-6H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;7,9-10H,5-6,8H2,1-4H3;7,9-10H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;4,6-8H,5H2,1-3H3;4,6-8H,5H2,1-3H3
InChIKeyIGUNCWZTGORVJF-UHFFFAOYSA-N
XLogP48.05
TPSA133.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002693.32
LogP ≤ 548.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol (CID 158694795) is 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol is CC(C)(C)C1=Cc2cc(C(C)(C)C)c(F)cc2C1.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)c1cc2cc(C(C)(C)C)n(C3CCOCC3)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CC(O)CCO)c2cc1F.CC(C)(C)c1cc2cc(C(C)(C)C)n(CCO)c2cc1F.CC1(C2=Cc3cc(C(C)(C)C)c(F)cc3C2)CC1.CCCC(O)Cn1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol?
The InChIKey is IGUNCWZTGORVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO.C21H33NO.C20H30FNO2.C18H26FNO.C18H23N.C17H21F.C17H23F.C17H24.C14H15F3.C13H15Cl/c1-20(2,3)16-11-14-12-19(21(4,5)6)23(18(14)13-17(16)22)15-7-9-24-10-8-15;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;1-19(2,3)15-9-13-10-18(20(4,5)6)22(12-14(24)7-8-23)17(13)11-16(15)21;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)14-9-11-7-13(17(4)5-6-17)8-12(11)10-15(14)18;1-16(2,3)13-7-11-9-14(17(4,5)6)15(18)10-12(11)8-13;1-16(2,3)14-10-12-8-7-9-13(12)11-15(14)17(4,5)6;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14(15,16)17;1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h11-13,15H,7-10H2,1-6H3;10-13,17,23H,8-9,14H2,1-7H3;9-11,14,23-24H,7-8,12H2,1-6H3;9-11,21H,7-8H2,1-6H3;7-9H,10H2,1-6H3;7,9-10H,5-6,8H2,1-4H3;7,9-10H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;4,6-8H,5H2,1-3H3;4,6-8H,5H2,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol?
6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol has a molecular weight of 2693.32 g/mol, XLogP of 48.05, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indene;5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indene;2,5-ditert-butyl-6-fluoro-1H-indene;4-(2,5-ditert-butyl-6-fluoroindol-1-yl)butane-1,3-diol;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;2,5-ditert-butyl-6-fluoro-1-(oxan-4-yl)indole;5,6-ditert-butyl-1H-indene;2,6-ditert-butyl-3H-indene-4-carbonitrile;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol is sourced from PubChem (CID 158694795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).