1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene

C64H50 — CID 59119989

IUPAC1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
SMILESC(=Cc1ccccc1C=C(c1ccccc1)c1ccc(Cc2ccccc2)cc1)c1ccc(C=Cc2ccccc2C=C(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C64H50/c1-5-17-51(18-6-1)45-53-35-41-59(42-36-53)63(57-23-9-3-10-24-57)47-61-27-15-13-21-55(61)39-33-49-29-31-50(32-30-49)34-40-56-22-14-16-28-62(56)48-64(58-25-11-4-12-26-58)60-43-37-54(38-44-60)46-52-19-7-2-8-20-52/h1-44,47-48H,45-46H2
InChIKeyVFSOVOWTOALJBQ-UHFFFAOYSA-N
MW819.10 g/mol
LogP16.39
Rot. Bonds14

About 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene

1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene (PubChem CID 59119989) has the molecular formula C64H50 and a molecular weight of 819.10 g/mol. Its IUPAC name is 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
PubChem CID59119989
Molecular FormulaC64H50
Molecular Weight819.10 g/mol
Exact Mass818.39
IUPAC Name1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
SMILESC(=Cc1ccccc1C=C(c1ccccc1)c1ccc(Cc2ccccc2)cc1)c1ccc(C=Cc2ccccc2C=C(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C64H50/c1-5-17-51(18-6-1)45-53-35-41-59(42-36-53)63(57-23-9-3-10-24-57)47-61-27-15-13-21-55(61)39-33-49-29-31-50(32-30-49)34-40-56-22-14-16-28-62(56)48-64(58-25-11-4-12-26-58)60-43-37-54(38-44-60)46-52-19-7-2-8-20-52/h1-44,47-48H,45-46H2
InChIKeyVFSOVOWTOALJBQ-UHFFFAOYSA-N
XLogP16.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]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

1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 163853364
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1,4-bis[2-[4-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]-2,3,5,6-tetramethylbenzene;1,4-bis[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]benzene;1-[2-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]-4-[2-[4-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-(4-phenylphenyl)ethenyl]phenyl]ethenyl]-2,3,5,6-tetramethylbenzene;1,3,5-tris[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 161452996
1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
CID 59120075
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene
CID 159106915
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
CID 163869385
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene (CID 59119989) is 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene is C(=Cc1ccccc1C=C(c1ccccc1)c1ccc(Cc2ccccc2)cc1)c1ccc(C=Cc2ccccc2C=C(c2ccccc2)c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The InChIKey is VFSOVOWTOALJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50/c1-5-17-51(18-6-1)45-53-35-41-59(42-36-53)63(57-23-9-3-10-24-57)47-61-27-15-13-21-55(61)39-33-49-29-31-50(32-30-49)34-40-56-22-14-16-28-62(56)48-64(58-25-11-4-12-26-58)60-43-37-54(38-44-60)46-52-19-7-2-8-20-52/h1-44,47-48H,45-46H2.
What are the key properties of 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene has a molecular weight of 819.10 g/mol, XLogP of 16.39, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 59119989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).