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

C125H165F6N9O — CID 157452816

IUPAC6-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
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1.Cc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1cc2c(C(C)(C)C)c[nH]c2cc1C(C)(C)C.Cc1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C17H25N.C16H21NO.C14H19N.C14H21N.2C13H14F3N.2C13H17N.C12H17N/c1-11-8-12-14(17(5,6)7)10-18-15(12)9-13(11)16(2,3)4;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;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h8-10,18H,1-7H3;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;2*5-8,14H,1-4H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyBSZMYGAYLJIAGU-UHFFFAOYSA-N
MW1923.74 g/mol
LogP35.05
Rot. Bonds

About 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

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 (PubChem CID 157452816) has the molecular formula C125H165F6N9O and a molecular weight of 1923.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157452816
Molecular FormulaC125H165F6N9O
Molecular Weight1923.74 g/mol
Exact Mass1922.30
IUPAC Name6-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
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1.Cc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1cc2c(C(C)(C)C)c[nH]c2cc1C(C)(C)C.Cc1cc2cc[nH]c2cc1C(C)(C)C
InChIInChI=1S/C17H25N.C16H21NO.C14H19N.C14H21N.2C13H14F3N.2C13H17N.C12H17N/c1-11-8-12-14(17(5,6)7)10-18-15(12)9-13(11)16(2,3)4;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;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h8-10,18H,1-7H3;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;2*5-8,14H,1-4H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyBSZMYGAYLJIAGU-UHFFFAOYSA-N
XLogP35.05
TPSA135.35 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.74
LogP ≤ 535.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
CID 157373323
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
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
3,6-Bis(7-tert-butyl-9-phenylcarbazol-3-yl)-9-(5-methyl-3-pyridinyl)carbazole;3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(4-methylphenyl)-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazol-3-yl]-9-phenyl-6-(trifluoromethyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 157713275
6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
CID 157898382
2-butan-2-yl-N-[4-(9H-carbazol-3-yl)phenyl]-N-phenylaniline;3-butan-2-yl-N-[4-(9H-carbazol-3-yl)phenyl]-N-phenylaniline;N-(4-butan-2-ylphenyl)-4-(9H-carbazol-3-yl)-N-phenylaniline;N-[4-(9H-carbazol-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(9H-carbazol-3-yl)phenyl]-2-(2-methylpropyl)-N-phenylaniline;N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-(trifluoromethyl)aniline;4-(9H-carbazol-3-yl)-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 158056359
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(C(F)(F)F)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2cc(C(F)(F)F)[nH]c2c1.Cc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1cc2c(C(C)(C)C)c[nH]c2cc1C(C)(C)C.Cc1cc2cc[nH]c2cc1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is BSZMYGAYLJIAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C16H21NO.C14H19N.C14H21N.2C13H14F3N.2C13H17N.C12H17N/c1-11-8-12-14(17(5,6)7)10-18-15(12)9-13(11)16(2,3)4;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;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h8-10,18H,1-7H3;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;2*5-8,14H,1-4H3;4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1923.74 g/mol, XLogP of 35.05, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157452816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).