1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

C36H34 — CID 173376876

IUPAC1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
SMILESC=CCCc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3CCC=C)cc2)cc1
InChIInChI=1S/C36H34/c1-3-5-11-31-13-7-9-15-33(31)23-17-29-19-25-35(26-20-29)36-27-21-30(22-28-36)18-24-34-16-10-8-14-32(34)12-6-4-2/h3-4,7-10,13-28H,1-2,5-6,11-12H2/b23-17+,24-18+
InChIKeyVEWFLTTXIRYJQV-GJHDBBOXSA-N
MW466.67 g/mol
LogP9.93
Rot. Bonds11

About 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (PubChem CID 173376876) has the molecular formula C36H34 and a molecular weight of 466.67 g/mol. Its IUPAC name is 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
PubChem CID173376876
Molecular FormulaC36H34
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Name1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
SMILESC=CCCc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3CCC=C)cc2)cc1
InChIInChI=1S/C36H34/c1-3-5-11-31-13-7-9-15-33(31)23-17-29-19-25-35(26-20-29)36-27-21-30(22-28-36)18-24-34-16-10-8-14-32(34)12-6-4-2/h3-4,7-10,13-28H,1-2,5-6,11-12H2/b23-17+,24-18+
InChIKeyVEWFLTTXIRYJQV-GJHDBBOXSA-N
XLogP9.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 59.93
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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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (CID 173376876) is 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is C=CCCc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3CCC=C)cc2)cc1.
What is the InChIKey of 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The InChIKey is VEWFLTTXIRYJQV-GJHDBBOXSA-N. The full InChI is InChI=1S/C36H34/c1-3-5-11-31-13-7-9-15-33(31)23-17-29-19-25-35(26-20-29)36-27-21-30(22-28-36)18-24-34-16-10-8-14-32(34)12-6-4-2/h3-4,7-10,13-28H,1-2,5-6,11-12H2/b23-17+,24-18+.
What are the key properties of 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene has a molecular weight of 466.67 g/mol, XLogP of 9.93, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-[(E)-2-[4-[4-[(E)-2-(2-but-3-enylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 173376876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).