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76439-00-4 molecular structure
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1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene

ChemBase ID: 90757
Molecular Formular: C24H22
Molecular Mass: 310.43148
Monoisotopic Mass: 310.1721507
SMILES and InChIs

SMILES:
Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
InChI:
InChI=1S/C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3
InChIKey:
BCASZEAAHJEDAL-UHFFFAOYSA-N

Cite this record

CBID:90757 http://www.chembase.cn/molecule-90757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
IUPAC Traditional name
1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
Synonyms
1,4-Bis[2-(4-methylphenyl)ethenyl]benzene
1,4-Bis(4-methylstyryl)benzene
1,1'-(Benzene-1,4-diyldiethene-2,1-diyl)bis(4-methylbenzene)
1,4-Bis[2-(4-methylphenyl)vinyl]benzene
CAS Number
76439-00-4
PubChem SID
162077488
PubChem CID
6139005

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 6139005 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.6797705  LogD (pH = 7.4) 7.6797705 
Log P 7.6797705  Molar Refractivity 107.05 cm3
Polarizability 40.4703 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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