1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene

C32H32 — CID 21052564

IUPAC1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H32/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-23,25H,3,7,24H2,1-2H3/b11-10+
InChIKeyGSLFSCRUIQIISU-ZHACJKMWSA-N
MW416.61 g/mol
LogP8.82
Rot. Bonds8

About 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene

1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene (PubChem CID 21052564) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
PubChem CID21052564
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H32/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-23,25H,3,7,24H2,1-2H3/b11-10+
InChIKeyGSLFSCRUIQIISU-ZHACJKMWSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene (CID 21052564) is 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene?
The InChIKey is GSLFSCRUIQIISU-ZHACJKMWSA-N. The full InChI is InChI=1S/C32H32/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-23,25H,3,7,24H2,1-2H3/b11-10+.
What are the key properties of 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene?
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene has a molecular weight of 416.61 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene is sourced from PubChem (CID 21052564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).