2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene

C32H26S — CID 163655314

IUPAC2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene
SMILESCc1ccc(/C=C/c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1
InChIInChI=1S/C32H26S/c1-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)23-28-17-19-30(20-18-28)32-22-21-31(33-32)29-5-3-2-4-6-29/h2-22H,23H2,1H3/b12-11+
InChIKeyIPSAJWKASOHTOW-VAWYXSNFSA-N
MW442.63 g/mol
LogP9.15
Rot. Bonds6

About 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene

2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene (PubChem CID 163655314) has the molecular formula C32H26S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene
PubChem CID163655314
Molecular FormulaC32H26S
Molecular Weight442.63 g/mol
Exact Mass442.18
IUPAC Name2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene
SMILESCc1ccc(/C=C/c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1
InChIInChI=1S/C32H26S/c1-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)23-28-17-19-30(20-18-28)32-22-21-31(33-32)29-5-3-2-4-6-29/h2-22H,23H2,1H3/b12-11+
InChIKeyIPSAJWKASOHTOW-VAWYXSNFSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[4-[2-[4-[2-[4-(5-methylthiophen-2-yl)phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
CID 76573319
1-benzyl-4-methylbenzene;toluene
CID 144690555
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
CID 143037410
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
4-methyl-N-[4-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 88567826
4-methyl-N-[4-[4-(4-methyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161438714
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
3,3,11,11-tetramethyl-7-[[6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 59801103
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene?
The IUPAC name of 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene (CID 163655314) is 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene.
What is the SMILES notation for 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene?
The canonical SMILES for 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene is Cc1ccc(/C=C/c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene?
The InChIKey is IPSAJWKASOHTOW-VAWYXSNFSA-N. The full InChI is InChI=1S/C32H26S/c1-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)23-28-17-19-30(20-18-28)32-22-21-31(33-32)29-5-3-2-4-6-29/h2-22H,23H2,1H3/b12-11+.
What are the key properties of 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene?
2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene has a molecular weight of 442.63 g/mol, XLogP of 9.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methyl]phenyl]-5-phenylthiophene is sourced from PubChem (CID 163655314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).