6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole

C87H111F9N6O — CID 157445530

IUPAC6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1cc2[nH]cc(C(C)(C)C)c2cc1C(F)(F)F.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C17H22F3N.C16H21NO.C14H19N.C14H21N.2C13H14F3N/c1-15(2,3)11-8-14-10(7-12(11)17(18,19)20)13(9-21-14)16(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)9-5-4-8-6-11(13(14,15)16)17-10(8)7-9/h7-9,21H,1-6H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;2*4-7,17H,1-3H3
InChIKeyBSEFGXBEPZIILJ-UHFFFAOYSA-N
MW1427.87 g/mol
LogP25.26
Rot. Bonds

About 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole

6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole (PubChem CID 157445530) has the molecular formula C87H111F9N6O and a molecular weight of 1427.87 g/mol. Its IUPAC name is 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
PubChem CID157445530
Molecular FormulaC87H111F9N6O
Molecular Weight1427.87 g/mol
Exact Mass1426.87
IUPAC Name6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1cc2[nH]cc(C(C)(C)C)c2cc1C(F)(F)F.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C17H22F3N.C16H21NO.C14H19N.C14H21N.2C13H14F3N/c1-15(2,3)11-8-14-10(7-12(11)17(18,19)20)13(9-21-14)16(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)9-5-4-8-6-11(13(14,15)16)17-10(8)7-9/h7-9,21H,1-6H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;2*4-7,17H,1-3H3
InChIKeyBSEFGXBEPZIILJ-UHFFFAOYSA-N
XLogP25.26
TPSA91.74 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.87
LogP ≤ 525.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole with MolForge

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Related Compounds

N-[[4-[[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 140392070
N-[[4-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 140392091
5-tert-butyl-6-fluoro-2-(1-methylcyclopropyl)-1H-indene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;2-(2,5-ditert-butyl-6-fluoroindol-1-yl)ethanol;1-(2,5-ditert-butyl-6-fluoroindol-1-yl)pentan-2-ol;2,6-ditert-butyl-3H-indene-4-carbonitrile;5,6-ditert-butyl-1H-indole;1-(2,5-ditert-butylindol-1-yl)pentan-2-ol
CID 157152199
6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-methyl-1H-indole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-methyl-1H-indole
CID 157452816
3,6-Bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole;3,6-bis(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole;9-[3,5-bis(2-pyridin-2-ylpropan-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-fluorophenyl)-3,6-dimethylcarbazole;9-[4-(1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-yl)phenyl]-3,6-bis(2-phenylpropan-2-yl)carbazole;9-(3,4,5-trimethylphenyl)-3,6-bis[(2,4,6-trimethylphenyl)methyl]carbazole
CID 157475508
6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
CID 157898382
6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
CID 158231603
1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
CID 158403148
6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-3-(trifluoromethyl)-1H-indole
CID 158490864
3-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1,1-bis(2,2,2-trifluoroethyl)urea;3-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1-(1,1,2,2,2-pentafluoroethyl)-1-(2,2,2-trifluoroethyl)urea;3-[7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-bis(2,2,2-trifluoroethyl)urea;3-[7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1-(1,1,2,2,2-pentafluoroethyl)-1-(2,2,2-trifluoroethyl)urea
CID 158600281
3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole;3-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole;3-(3-carbazol-9-yl-5-methylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-fluoro-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole
CID 158622056
6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 158843163

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole (CID 157445530) is 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1cc2[nH]cc(C(C)(C)C)c2cc1C(F)(F)F.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole?
The InChIKey is BSEFGXBEPZIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N.C16H21NO.C14H19N.C14H21N.2C13H14F3N/c1-15(2,3)11-8-14-10(7-12(11)17(18,19)20)13(9-21-14)16(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-12(2,3)8-4-5-9-10(13(14,15)16)7-17-11(9)6-8;1-12(2,3)9-5-4-8-6-11(13(14,15)16)17-10(8)7-9/h7-9,21H,1-6H3;5-6,9H,7-8,10H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;2*4-7,17H,1-3H3.
What are the key properties of 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole?
6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole has a molecular weight of 1427.87 g/mol, XLogP of 25.26, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 157445530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).