5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol

C111H152BrF4N9O2 — CID 158146493

IUPAC5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol
SMILESC.C.C.C.C.C.C.C.C.CC(=O)c1[nH]c2ccccc2c1C(C)C.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2cc(F)ccc12.CC(C)c1c[nH]c2ccc(Br)cc12.CC(C)c1c[nH]c2ccc(CO)cc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(F)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H15NO.C12H15NO.C11H12BrN.4C11H12FN.2C11H13N.9CH4/c1-8(2)12-10-6-4-5-7-11(10)14-13(12)9(3)15;1-8(2)11-6-13-12-4-3-9(7-14)5-10(11)12;2*1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-13-11-5-8(12)3-4-9(10)11;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;;;;;;;/h4-8,14H,1-3H3;3-6,8,13-14H,7H2,1-2H3;5*3-7,13H,1-2H3;2*3-8,12H,1-2H3;9*1H4
InChIKeyFUOSMVDPZZVXMO-UHFFFAOYSA-N
MW1800.39 g/mol
LogP36.36
Rot. Bonds11

About 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol

5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol (PubChem CID 158146493) has the molecular formula C111H152BrF4N9O2 and a molecular weight of 1800.39 g/mol. Its IUPAC name is 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol.

Molecular Properties

Compound Name5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol
PubChem CID158146493
Molecular FormulaC111H152BrF4N9O2
Molecular Weight1800.39 g/mol
Exact Mass1798.12
IUPAC Name5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol
SMILESC.C.C.C.C.C.C.C.C.CC(=O)c1[nH]c2ccccc2c1C(C)C.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2cc(F)ccc12.CC(C)c1c[nH]c2ccc(Br)cc12.CC(C)c1c[nH]c2ccc(CO)cc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(F)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H15NO.C12H15NO.C11H12BrN.4C11H12FN.2C11H13N.9CH4/c1-8(2)12-10-6-4-5-7-11(10)14-13(12)9(3)15;1-8(2)11-6-13-12-4-3-9(7-14)5-10(11)12;2*1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-13-11-5-8(12)3-4-9(10)11;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;;;;;;;/h4-8,14H,1-3H3;3-6,8,13-14H,7H2,1-2H3;5*3-7,13H,1-2H3;2*3-8,12H,1-2H3;9*1H4
InChIKeyFUOSMVDPZZVXMO-UHFFFAOYSA-N
XLogP36.36
TPSA179.41 Ų
H-Bond Donors10
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.39
LogP ≤ 536.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol with MolForge

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Related Compounds

lithium;(5-bromoindol-1-yl)-methylborinic acid;(2-formyl-2-propylpyrrolidin-1-yl)-methylborinic acid;[2-[hydroxy-[1-[hydroxy(methyl)boranyl]indol-5-yl]methyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;[2-[1-[hydroxy(methyl)boranyl]indole-5-carbonyl]-2-propylpyrrolidin-1-yl]-methylborinic acid;1H-indol-5-yl-(2-propylpyrrolidin-2-yl)methanone;2-methylpropane;2,2,2-trifluoroacetaldehyde
CID 157139151
1-bromo-3-(trifluoromethyl)benzene;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indole-5-carboxylic acid;1-[1-(3-methylphenyl)indol-5-yl]ethanone;trans-(1R,2R)-1,2-diethylcyclohexane;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
CID 158303325
3-(5-bromo-1H-indol-3-yl)-4-[5-(hydroxymethyl)-1H-indol-3-yl]cyclobut-3-ene-1,2-dione
CID 135210322
lithium;1-bromo-4-fluorobenzene;1-(4-fluorophenyl)indole-5-carboxylic acid;methyl 1-(4-fluorophenyl)indole-5-carboxylate;methyl 1H-indole-5-carboxylate;hydroxide
CID 157068924
5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157329422
3-[5-(hydroxymethyl)-1H-indol-3-yl]-4-(5-iodo-1H-indol-3-yl)cyclobut-3-ene-1,2-dione;3-(1-methylindol-3-yl)-4-(2-methyl-1H-indol-3-yl)cyclobut-3-ene-1,2-dione;3-(1-methylindol-3-yl)-4-(2-phenyl-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 157362678
6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 157579510
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide;(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone;5-bromo-3-(1H-pyrrol-2-yl)-1H-indazole;5-pyridin-3-yl-3-(1H-pyrrol-2-yl)-1H-indazole
CID 158151177
(2E)-2-[(1-benzylindol-5-yl)methylidene]-7-fluoro-3,4-dihydronaphthalen-1-one;(2E)-6,7-bis(hydroxymethyl)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one;(2E)-7-bromo-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one;(2E)-7-bromo-2-(1H-indol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one;(2E)-7-bromo-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one;(2E)-2-[(1-ethylindol-5-yl)methylidene]-6,7-bis(hydroxymethyl)-3,4-dihydronaphthalen-1-one;(2E)-2-[(1-ethylindol-5-yl)methylidene]-7-(hydroxymethyl)-3,4-dihydronaphthalen-1-one;(2E)-7-(hydroxymethyl)-2-(1H-indol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one;(2E)-7-(hydroxymethyl)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 158382297
2,3-dimethyl-1H-indole;ethane;3-methyl-1H-indole;1-(3-methyl-1H-indol-2-yl)ethanol;1-(3-methyl-1H-indol-2-yl)ethanone
CID 158451990
1-(7-bromo-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;1-(4-fluorophenyl)-7-methylindole-5-carboxylic acid;1-[1-(4-fluorophenyl)-7-methylindol-5-yl]ethanone;1-(7-methyl-1H-indol-5-yl)ethanone
CID 158591027
5-bromo-3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-6-methyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[2-(7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 158667667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol?
The IUPAC name of 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol (CID 158146493) is 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol.
What is the SMILES notation for 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol?
The canonical SMILES for 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol is C.C.C.C.C.C.C.C.C.CC(=O)c1[nH]c2ccccc2c1C(C)C.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2cc(F)ccc12.CC(C)c1c[nH]c2ccc(Br)cc12.CC(C)c1c[nH]c2ccc(CO)cc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(F)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.
What is the InChIKey of 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol?
The InChIKey is FUOSMVDPZZVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H15NO.C11H12BrN.4C11H12FN.2C11H13N.9CH4/c1-8(2)12-10-6-4-5-7-11(10)14-13(12)9(3)15;1-8(2)11-6-13-12-4-3-9(7-14)5-10(11)12;2*1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-13-11-5-8(12)3-4-9(10)11;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;;;;;;;/h4-8,14H,1-3H3;3-6,8,13-14H,7H2,1-2H3;5*3-7,13H,1-2H3;2*3-8,12H,1-2H3;9*1H4.
What are the key properties of 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol?
5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol has a molecular weight of 1800.39 g/mol, XLogP of 36.36, 11 rotatable bonds, 10 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-yl-1H-indole;4-fluoro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;6-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;methane;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;1-(3-propan-2-yl-1H-indol-2-yl)ethanone;(3-propan-2-yl-1H-indol-5-yl)methanol is sourced from PubChem (CID 158146493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).