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

C30H36BrNOSi — CID 176787045

IUPAC[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
SMILESCc1[nH]c2ccc(Br)cc2c1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H36BrNOSi/c1-22-27(26-19-23(31)17-18-28(26)32-22)20-30(5,6)21-33-34(29(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,32H,20-21H2,1-6H3
InChIKeyIKYZHIHMOFJPTE-UHFFFAOYSA-N
MW534.61 g/mol
LogP7.38
Rot. Bonds7

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

[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 176787045) has the molecular formula C30H36BrNOSi and a molecular weight of 534.61 g/mol. Its IUPAC name is [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
PubChem CID176787045
Molecular FormulaC30H36BrNOSi
Molecular Weight534.61 g/mol
Exact Mass533.17
IUPAC Name[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
SMILESCc1[nH]c2ccc(Br)cc2c1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H36BrNOSi/c1-22-27(26-19-23(31)17-18-28(26)32-22)20-30(5,6)21-33-34(29(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,32H,20-21H2,1-6H3
InChIKeyIKYZHIHMOFJPTE-UHFFFAOYSA-N
XLogP7.38
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
CID 178037188
[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
CID 170712658
3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-[2-(1-methoxyethyl)-3-pyridinyl]-1H-indole-5-carbonitrile
CID 175590852
[3-[5-bromo-2-[2-(1-methoxyethyl)-3-pyridinyl]-1-(1,2,2-trifluoroethyl)indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
CID 175400945
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
CID 102042705
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane
CID 101418402

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (CID 176787045) is [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is Cc1[nH]c2ccc(Br)cc2c1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is IKYZHIHMOFJPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36BrNOSi/c1-22-27(26-19-23(31)17-18-28(26)32-22)20-30(5,6)21-33-34(29(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-19,32H,20-21H2,1-6H3.
What are the key properties of [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?
[3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 534.61 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 176787045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).