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57784-37-9 molecular structure
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triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide

ChemBase ID: 169620
Molecular Formular: C38H48BrP
Molecular Mass: 615.665481
Monoisotopic Mass: 614.26770017
SMILES and InChIs

SMILES:
C(=CCC/C(=C/CC/C(=C/CC/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C)/C)/C)(C)C.[Br-]
Canonical SMILES:
C/C(=C\CC/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C)/CC/C=C(/CCC=C(C)C)\C.[Br-]
InChI:
InChI=1S/C38H48P.BrH/c1-32(2)18-15-19-33(3)20-16-21-34(4)22-17-23-35(5)30-31-39(36-24-9-6-10-25-36,37-26-11-7-12-27-37)38-28-13-8-14-29-38;/h6-14,18,20,22,24-30H,15-17,19,21,23,31H2,1-5H3;1H/q+1;/p-1/b33-20+,34-22+,35-30+;
InChIKey:
CWHVATRDOJOHPG-CKLVJSNMSA-M

Cite this record

CBID:169620 http://www.chembase.cn/molecule-169620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide
IUPAC Traditional name
triphenyl[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phosphanium bromide
Synonyms
Triphenyl[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]phosphonium Bromide
Geranylgeranyltriphenylphosphonium Bromide
CAS Number
57784-37-9
PubChem SID
162263752
PubChem CID
71317065

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC G367630 external link Add to cart
PubChem 71317065 external link
Data Source Data ID Price
TRC
G367630 external link Add to cart Please log in.
Data Source Data ID
PubChem 71317065 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.96818  LogD (pH = 7.4) 10.96818 
Log P 10.96818  Molar Refractivity 177.7472 cm3
Polarizability 68.612305 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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