1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

C28H20Cl2 — CID 101472546

IUPAC1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
SMILESClc1ccc(/C=C\c2ccccc2-c2ccccc2/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H20Cl2/c29-25-17-11-21(12-18-25)9-15-23-5-1-3-7-27(23)28-8-4-2-6-24(28)16-10-22-13-19-26(30)20-14-22/h1-20H/b15-9-,16-10+
InChIKeyXDAJSHOVRCTYNZ-CKOAPEAFSA-N
MW427.37 g/mol
LogP9.00
Rot. Bonds5

About 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (PubChem CID 101472546) has the molecular formula C28H20Cl2 and a molecular weight of 427.37 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
PubChem CID101472546
Molecular FormulaC28H20Cl2
Molecular Weight427.37 g/mol
Exact Mass426.09
IUPAC Name1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
SMILESClc1ccc(/C=C\c2ccccc2-c2ccccc2/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H20Cl2/c29-25-17-11-21(12-18-25)9-15-23-5-1-3-7-27(23)28-8-4-2-6-24(28)16-10-22-13-19-26(30)20-14-22/h1-20H/b15-9-,16-10+
InChIKeyXDAJSHOVRCTYNZ-CKOAPEAFSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.37
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (CID 101472546) is 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is Clc1ccc(/C=C\c2ccccc2-c2ccccc2/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
The InChIKey is XDAJSHOVRCTYNZ-CKOAPEAFSA-N. The full InChI is InChI=1S/C28H20Cl2/c29-25-17-11-21(12-18-25)9-15-23-5-1-3-7-27(23)28-8-4-2-6-24(28)16-10-22-13-19-26(30)20-14-22/h1-20H/b15-9-,16-10+.
What are the key properties of 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?
1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene has a molecular weight of 427.37 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 101472546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).