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

C31H34 — CID 140774680

IUPAC1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(-c3ccc(C/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C31H34/c1-3-5-7-11-27-14-16-28(17-15-27)12-8-9-13-29-20-24-31(25-21-29)30-22-18-26(19-23-30)10-6-4-2/h3-6,8-9,14-25H,7,10-13H2,1-2H3/b5-3+,6-4+,9-8+
InChIKeyPECPQIFZFKJXNY-RFWMKXCQSA-N
MW406.61 g/mol
LogP8.32
Rot. Bonds10

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

1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene (PubChem CID 140774680) has the molecular formula C31H34 and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
PubChem CID140774680
Molecular FormulaC31H34
Molecular Weight406.61 g/mol
Exact Mass406.27
IUPAC Name1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(-c3ccc(C/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C31H34/c1-3-5-7-11-27-14-16-28(17-15-27)12-8-9-13-29-20-24-31(25-21-29)30-22-18-26(19-23-30)10-6-4-2/h3-6,8-9,14-25H,7,10-13H2,1-2H3/b5-3+,6-4+,9-8+
InChIKeyPECPQIFZFKJXNY-RFWMKXCQSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-pent-3-enyl-4-propylbenzene
CID 72599491
2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
CID 126610190
1-but-2-enyl-4-(2-chloroethyl)benzene
CID 175436209
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-fluoro-4-[4-[2-(4-pent-3-enylphenyl)ethynyl]phenyl]benzene
CID 139754130
pent-3-enylbenzene
CID 519421
1-hex-4-enyl-4-phenylbenzene
CID 174423294
1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
CID 126610314

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene?
The IUPAC name of 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene (CID 140774680) is 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene.
What is the SMILES notation for 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene?
The canonical SMILES for 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene is C/C=C/CCc1ccc(C/C=C/Cc2ccc(-c3ccc(C/C=C/C)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene?
The InChIKey is PECPQIFZFKJXNY-RFWMKXCQSA-N. The full InChI is InChI=1S/C31H34/c1-3-5-7-11-27-14-16-28(17-15-27)12-8-9-13-29-20-24-31(25-21-29)30-22-18-26(19-23-30)10-6-4-2/h3-6,8-9,14-25H,7,10-13H2,1-2H3/b5-3+,6-4+,9-8+.
What are the key properties of 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene?
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene has a molecular weight of 406.61 g/mol, XLogP of 8.32, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene is sourced from PubChem (CID 140774680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).