1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene

C32H27F — CID 89173063

IUPAC1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(CF)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H27F/c1-25-2-4-26(5-3-25)6-7-27-8-10-28(11-9-27)12-13-29-14-16-30(17-15-29)18-19-31-20-22-32(24-33)23-21-31/h2-23H,24H2,1H3/b7-6+,13-12+,19-18+
InChIKeyCHYCLFCVTSVQRM-QRLSKIFXSA-N
MW430.57 g/mol
LogP8.98
Rot. Bonds7

About 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene

1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene (PubChem CID 89173063) has the molecular formula C32H27F and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
PubChem CID89173063
Molecular FormulaC32H27F
Molecular Weight430.57 g/mol
Exact Mass430.21
IUPAC Name1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(CF)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H27F/c1-25-2-4-26(5-3-25)6-7-27-8-10-28(11-9-27)12-13-29-14-16-30(17-15-29)18-19-31-20-22-32(24-33)23-21-31/h2-23H,24H2,1H3/b7-6+,13-12+,19-18+
InChIKeyCHYCLFCVTSVQRM-QRLSKIFXSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 58.98
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

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene
CID 90732289
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
CID 174899702
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
CID 166716573
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 11379525

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene (CID 89173063) is 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene is Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(CF)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
The InChIKey is CHYCLFCVTSVQRM-QRLSKIFXSA-N. The full InChI is InChI=1S/C32H27F/c1-25-2-4-26(5-3-25)6-7-27-8-10-28(11-9-27)12-13-29-14-16-30(17-15-29)18-19-31-20-22-32(24-33)23-21-31/h2-23H,24H2,1H3/b7-6+,13-12+,19-18+.
What are the key properties of 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene?
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene has a molecular weight of 430.57 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 89173063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).