1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene

C28H24 — CID 102073243

IUPAC1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
SMILESCC(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24/c1-22(24-18-20-28(21-19-24)26-10-6-3-7-11-26)12-13-23-14-16-27(17-15-23)25-8-4-2-5-9-25/h2-22H,1H3/b13-12+
InChIKeyLZRFZBMDCKBBQA-OUKQBFOZSA-N
MW360.50 g/mol
LogP7.84
Rot. Bonds5

About 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene

1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene (PubChem CID 102073243) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
PubChem CID102073243
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
SMILESCC(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24/c1-22(24-18-20-28(21-19-24)26-10-6-3-7-11-26)12-13-23-14-16-27(17-15-23)25-8-4-2-5-9-25/h2-22H,1H3/b13-12+
InChIKeyLZRFZBMDCKBBQA-OUKQBFOZSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene (CID 102073243) is 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene is CC(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene?
The InChIKey is LZRFZBMDCKBBQA-OUKQBFOZSA-N. The full InChI is InChI=1S/C28H24/c1-22(24-18-20-28(21-19-24)26-10-6-3-7-11-26)12-13-23-14-16-27(17-15-23)25-8-4-2-5-9-25/h2-22H,1H3/b13-12+.
What are the key properties of 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene?
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene has a molecular weight of 360.50 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 102073243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).