cis-Stilbene

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for cis-Stilbene are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the cis-Stilbene?

The molecule cis-Stilbene presents a molecular formula of C₁₄H₁₂ and its IUPAC name is cis-stilbene.

Cis-stilbene is a molecule composed of two benzene rings connected by a double bond. The double bond is located between the two carbon atoms of the benzene rings. The molecule is flat, with the two benzene rings lying in the same plane..

The name "cis-stilbene" comes from the fact that the molecule's double bond is "cis", meaning that the two carbon atoms on either side of the double bond are on the same side of the molecule. This is in contrast to "trans-stilbene", where the two carbons are on opposite sides of the molecule..

The cis-stilbene molecule has a number of interesting properties. For example, it is one of the few molecules that can exist in two mirror-image forms, called "enantiomers". These two forms are identical in every way except that they are mirror images of each other, like your left and right hands..

cis-Stilbene is also notable for its ability to absorb light. When light strikes cis-stilbene, it causes the molecule to vibrate. This vibration can be used to create a variety of colors, depending on the wavelength of the light..

The cis-stilbene molecule has a number of practical applications. For example, it is used in the production of certain types of plastics. It is also used as a pigment in paints and inks..

Overall, cis-stilbene is a fascinating molecule with a wide range of applications. It is sure to continue to be studied for many years to come..

3D structure

Cartesian coordinates

Geometry of cis-Stilbene in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Molecule descriptors

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

• CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
• Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
• ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
• PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
• RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
• ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
• CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

Physico-Chemical properties

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Ų are required. Thus, molecules with a polar surface area greater than 140 Ų tend to be poorly permeable to cell membranes.