1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene

C40H34 — CID 59120075

IUPAC1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
SMILESCC(=Cc1ccccc1C=Cc1ccc(C=Cc2ccccc2C=C(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C40H34/c1-31(35-13-5-3-6-14-35)29-39-19-11-9-17-37(39)27-25-33-21-23-34(24-22-33)26-28-38-18-10-12-20-40(38)30-32(2)36-15-7-4-8-16-36/h3-30H,1-2H3
InChIKeyXTMPNCRVKGFCRR-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.15
Rot. Bonds8

About 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene

1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene (PubChem CID 59120075) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
PubChem CID59120075
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
SMILESCC(=Cc1ccccc1C=Cc1ccc(C=Cc2ccccc2C=C(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C40H34/c1-31(35-13-5-3-6-14-35)29-39-19-11-9-17-37(39)27-25-33-21-23-34(24-22-33)26-28-38-18-10-12-20-40(38)30-32(2)36-15-7-4-8-16-36/h3-30H,1-2H3
InChIKeyXTMPNCRVKGFCRR-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylprop-1-enyl)phenol
CID 54547938
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 59119989
1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
CID 54269613
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-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
CID 160728696
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422
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-phenylprop-1-enyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene (CID 59120075) is 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene is CC(=Cc1ccccc1C=Cc1ccc(C=Cc2ccccc2C=C(C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene?
The InChIKey is XTMPNCRVKGFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-31(35-13-5-3-6-14-35)29-39-19-11-9-17-37(39)27-25-33-21-23-34(24-22-33)26-28-38-18-10-12-20-40(38)30-32(2)36-15-7-4-8-16-36/h3-30H,1-2H3.
What are the key properties of 1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene?
1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene has a molecular weight of 514.71 g/mol, XLogP of 11.15, 8 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-phenylprop-1-enyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 59120075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).