Home > Compound List > Compound details
128564-66-9 molecular structure
click picture or here to close

5-bromo-1-[tris(propan-2-yl)silyl]-1H-indole

ChemBase ID: 76542
Molecular Formular: C17H26BrNSi
Molecular Mass: 352.38454
Monoisotopic Mass: 351.10178837
SMILES and InChIs

SMILES:
Brc1cc2c(cc1)n(cc2)[Si](C(C)C)(C(C)C)C(C)C
Canonical SMILES:
Brc1ccc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C17H26BrNSi/c1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19/h7-14H,1-6H3
InChIKey:
SQNJTVRBGMQSBC-UHFFFAOYSA-N

Cite this record

CBID:76542 http://www.chembase.cn/molecule-76542.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-1-[tris(propan-2-yl)silyl]-1H-indole
IUPAC Traditional name
5-bromo-1-(triisopropylsilyl)indole
Synonyms
5-Bromo-1-(triisopropylsilyl)-1H-indole
CAS Number
128564-66-9
MDL Number
MFCD05664417
PubChem SID
162041446
PubChem CID
2794652

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794652 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.1693  LogD (pH = 7.4) 6.1693 
Log P 6.1693  Molar Refractivity 90.0537 cm3
Polarizability 37.680374 Å3 Polar Surface Area 4.93 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle