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1674-18-6 molecular structure
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(triphenylpropa-1,2-dien-1-yl)benzene

ChemBase ID: 108770
Molecular Formular: C27H20
Molecular Mass: 344.4477
Monoisotopic Mass: 344.15650064
SMILES and InChIs

SMILES:
c1ccc(cc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C27H20/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H
InChIKey:
IFDRDSWHWMTLKM-UHFFFAOYSA-N

Cite this record

CBID:108770 http://www.chembase.cn/molecule-108770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(triphenylpropa-1,2-dien-1-yl)benzene
IUPAC Traditional name
(triphenylpropa-1,2-dien-1-yl)benzene
Synonyms
TETRAPHENYLALLENE
CAS Number
1674-18-6
PubChem SID
162094188
PubChem CID
74290

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208651 external link Add to cart Please log in.
Data Source Data ID
PubChem 74290 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.416406  LogD (pH = 7.4) 7.416406 
Log P 7.416406  Molar Refractivity 132.8999 cm3
Polarizability 44.23145 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05208651 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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