[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane

C29H33BrFNOSi — CID 170712658

IUPAC[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C29H33BrFNOSi/c1-28(2,3)34(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-29(4,5)18-21-19-32-27-17-26(31)25(30)16-24(21)27/h6-17,19,32H,18,20H2,1-5H3
InChIKeyHYMDURWQHSIAME-UHFFFAOYSA-N
MW538.58 g/mol
LogP7.21
Rot. Bonds7

About [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane

[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 170712658) has the molecular formula C29H33BrFNOSi and a molecular weight of 538.58 g/mol. Its IUPAC name is [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
PubChem CID170712658
Molecular FormulaC29H33BrFNOSi
Molecular Weight538.58 g/mol
Exact Mass537.15
IUPAC Name[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C29H33BrFNOSi/c1-28(2,3)34(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-29(4,5)18-21-19-32-27-17-26(31)25(30)16-24(21)27/h6-17,19,32H,18,20H2,1-5H3
InChIKeyHYMDURWQHSIAME-UHFFFAOYSA-N
XLogP7.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.58
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
CID 176787045
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
methyl 5-bromo-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4-fluorobenzoate
CID 163395148
5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
CID 174234185
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425
benzyl 4-[5-[5-bromo-3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-6-fluoro-1-(2,2,2-trifluoroethyl)indol-2-yl]-6-[(1S)-1-methoxyethyl]-3-pyridinyl]piperazine-1-carboxylate
CID 176850829
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (CID 170712658) is [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1c[nH]c2cc(F)c(Br)cc12.
What is the InChIKey of [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is HYMDURWQHSIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33BrFNOSi/c1-28(2,3)34(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-29(4,5)18-21-19-32-27-17-26(31)25(30)16-24(21)27/h6-17,19,32H,18,20H2,1-5H3.
What are the key properties of [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 538.58 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 170712658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).