1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene

C28H26 — CID 173349297

IUPAC1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene
SMILESC=CCc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2CC=C)cc1
InChIInChI=1S/C28H26/c1-3-9-25-11-5-7-13-27(25)21-19-23-15-17-24(18-16-23)20-22-28-14-8-6-12-26(28)10-4-2/h3-8,11-22H,1-2,9-10H2/b21-19+,22-20+
InChIKeyVWTOUVGNTBGHPZ-FLFKKZLDSA-N
MW362.52 g/mol
LogP7.48
Rot. Bonds8

About 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene

1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene (PubChem CID 173349297) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene
PubChem CID173349297
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene
SMILESC=CCc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2CC=C)cc1
InChIInChI=1S/C28H26/c1-3-9-25-11-5-7-13-27(25)21-19-23-15-17-24(18-16-23)20-22-28-14-8-6-12-26(28)10-4-2/h3-8,11-22H,1-2,9-10H2/b21-19+,22-20+
InChIKeyVWTOUVGNTBGHPZ-FLFKKZLDSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-2-[2-[2-(2-prop-2-enylphenyl)ethenoxy]ethenyl]benzene
CID 91271016
1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 173376876
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 134149322
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
N-phenyl-1-(2-prop-2-enylphenyl)methanimine oxide
CID 88783372
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-prop-2-enylaniline
CID 3036592
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene (CID 173349297) is 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene is C=CCc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2CC=C)cc1.
What is the InChIKey of 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene?
The InChIKey is VWTOUVGNTBGHPZ-FLFKKZLDSA-N. The full InChI is InChI=1S/C28H26/c1-3-9-25-11-5-7-13-27(25)21-19-23-15-17-24(18-16-23)20-22-28-14-8-6-12-26(28)10-4-2/h3-8,11-22H,1-2,9-10H2/b21-19+,22-20+.
What are the key properties of 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene?
1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene has a molecular weight of 362.52 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-(2-prop-2-enylphenyl)ethenyl]benzene is sourced from PubChem (CID 173349297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).