5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane

C106H158Br2N8O8Si2 — CID 159904496

IUPAC5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane
SMILESBrc1ccc2[nH]ccc2c1.C.C.C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.CCOC(=O)C(Cc1c[nH]c2ccc(CC)cc12)C(=O)OCC.CCc1ccc2[nH]cc(CC(C(=O)O)C(=O)O)c2c1.CCc1ccc2[nH]cc(CN(C)C)c2c1.CCc1ccc2[nH]ccc2c1.CCc1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C19H31NSi.C18H23NO4.C17H26BrNSi.C14H15NO4.C13H18N2.C10H11N.C8H6BrN.7CH4/c1-8-17-9-10-19-18(13-17)11-12-20(19)21(14(2)3,15(4)5)16(6)7;1-4-12-7-8-16-14(9-12)13(11-19-16)10-15(17(20)22-5-2)18(21)23-6-3;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-2-8-3-4-12-10(5-8)9(7-15-12)6-11(13(16)17)14(18)19;1-4-10-5-6-13-12(7-10)11(8-14-13)9-15(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;9-7-1-2-8-6(5-7)3-4-10-8;;;;;;;/h9-16H,8H2,1-7H3;7-9,11,15,19H,4-6,10H2,1-3H3;7-14H,1-6H3;3-5,7,11,15H,2,6H2,1H3,(H,16,17)(H,18,19);5-8,14H,4,9H2,1-3H3;3-7,11H,2H2,1H3;1-5,10H;7*1H4
InChIKeyNWJWKIZWXMCTDF-UHFFFAOYSA-N
MW1888.46 g/mol
LogP30.63
Rot. Bonds25

About 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane

5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane (PubChem CID 159904496) has the molecular formula C106H158Br2N8O8Si2 and a molecular weight of 1888.46 g/mol. Its IUPAC name is 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane.

Molecular Properties

Compound Name5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane
PubChem CID159904496
Molecular FormulaC106H158Br2N8O8Si2
Molecular Weight1888.46 g/mol
Exact Mass1885.01
IUPAC Name5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane
SMILESBrc1ccc2[nH]ccc2c1.C.C.C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.CCOC(=O)C(Cc1c[nH]c2ccc(CC)cc12)C(=O)OCC.CCc1ccc2[nH]cc(CC(C(=O)O)C(=O)O)c2c1.CCc1ccc2[nH]cc(CN(C)C)c2c1.CCc1ccc2[nH]ccc2c1.CCc1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C19H31NSi.C18H23NO4.C17H26BrNSi.C14H15NO4.C13H18N2.C10H11N.C8H6BrN.7CH4/c1-8-17-9-10-19-18(13-17)11-12-20(19)21(14(2)3,15(4)5)16(6)7;1-4-12-7-8-16-14(9-12)13(11-19-16)10-15(17(20)22-5-2)18(21)23-6-3;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-2-8-3-4-12-10(5-8)9(7-15-12)6-11(13(16)17)14(18)19;1-4-10-5-6-13-12(7-10)11(8-14-13)9-15(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;9-7-1-2-8-6(5-7)3-4-10-8;;;;;;;/h9-16H,8H2,1-7H3;7-9,11,15,19H,4-6,10H2,1-3H3;7-14H,1-6H3;3-5,7,11,15H,2,6H2,1H3,(H,16,17)(H,18,19);5-8,14H,4,9H2,1-3H3;3-7,11H,2H2,1H3;1-5,10H;7*1H4
InChIKeyNWJWKIZWXMCTDF-UHFFFAOYSA-N
XLogP30.63
TPSA219.25 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.46
LogP ≤ 530.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane with MolForge

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Related Compounds

5-bromo-1H-indole;(1R)-2-(1H-indol-5-yl)-1-methoxyethanamine;methyl (2S)-3-hydroxy-2-methylpropanoate;methyl (2S)-3-(1H-indol-5-yl)-2-methylpropanoate;methyl (2R)-3-iodo-2-methylpropanoate
CID 157499863
3-[1-(benzenesulfonyl)-5-ethylindol-3-yl]propanoic acid;5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;3-(5-ethyl-1H-indol-3-yl)propanoic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane
CID 157934485
5-bromo-3-isocyano-1H-indole;ethyl 3-(3-isocyano-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(3-isocyano-1H-indol-5-yl)-3-phenylprop-2-enoate;3-(3-isocyano-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-1H-indol-5-yl)-3-phenylpropan-1-ol
CID 158103827
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)ethanol;3-(5-bromo-1H-indol-3-yl)propanamide;3-(5-bromo-1H-indol-3-yl)propanenitrile;methane;methyl 2-(5-bromo-1H-indol-3-yl)acetate;3-[5-(3-methylphenyl)-1H-indol-3-yl]propanamide;3-[5-(3-methylphenyl)-1-octylindol-3-yl]propanamide
CID 158106285
3-(5-bromo-1H-indol-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-butyl-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide;3-(5-bromo-1H-indol-3-yl)-2-methyliminopropanoic acid;2-[tert-butyl(dimethyl)silyl]oxyethanamine;hexane-1,6-diamine
CID 158214737
lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride
CID 158900568
H-D-Trp(5-Br)-OEt.H-DL-Trp(5-Br)-OEt.H-Trp(5-Br)-OH
CID 159473334
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;3-(5-ethyl-1H-indol-3-yl)propanoic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane
CID 160433747
3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile
CID 161072366
3-(3-bromo-2-methylpropyl)-5-fluoro-1H-indole;diethyl 2-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylpropanedioate;ethyl 2-methyl-3-oxobutanoate;1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylpropanedioic acid;3-(5-fluoro-1H-indol-3-yl)-2-methylpropanal;3-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-ol
CID 162059794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane?
The IUPAC name of 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane (CID 159904496) is 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane.
What is the SMILES notation for 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane?
The canonical SMILES for 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane is Brc1ccc2[nH]ccc2c1.C.C.C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.CCOC(=O)C(Cc1c[nH]c2ccc(CC)cc12)C(=O)OCC.CCc1ccc2[nH]cc(CC(C(=O)O)C(=O)O)c2c1.CCc1ccc2[nH]cc(CN(C)C)c2c1.CCc1ccc2[nH]ccc2c1.CCc1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane?
The InChIKey is NWJWKIZWXMCTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NSi.C18H23NO4.C17H26BrNSi.C14H15NO4.C13H18N2.C10H11N.C8H6BrN.7CH4/c1-8-17-9-10-19-18(13-17)11-12-20(19)21(14(2)3,15(4)5)16(6)7;1-4-12-7-8-16-14(9-12)13(11-19-16)10-15(17(20)22-5-2)18(21)23-6-3;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-2-8-3-4-12-10(5-8)9(7-15-12)6-11(13(16)17)14(18)19;1-4-10-5-6-13-12(7-10)11(8-14-13)9-15(2)3;1-2-8-3-4-10-9(7-8)5-6-11-10;9-7-1-2-8-6(5-7)3-4-10-8;;;;;;;/h9-16H,8H2,1-7H3;7-9,11,15,19H,4-6,10H2,1-3H3;7-14H,1-6H3;3-5,7,11,15H,2,6H2,1H3,(H,16,17)(H,18,19);5-8,14H,4,9H2,1-3H3;3-7,11H,2H2,1H3;1-5,10H;7*1H4.
What are the key properties of 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane?
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane has a molecular weight of 1888.46 g/mol, XLogP of 30.63, 25 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane is sourced from PubChem (CID 159904496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).