5DH

3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile

Created: 2015-09-09
Last modified:  2016-05-04

Find related ligands:

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count18
2D diagram of 5DH

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Chemical Component Summary

Name3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
Systematic Name (OpenEye OEToolkits)3,3-bis(4-hydroxyphenyl)-2-phenyl-prop-2-enenitrile
FormulaC21 H15 N O2
Molecular Weight313.349
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N#C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3
SMILESCACTVS3.385Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N
Canonical SMILESCACTVS3.385 Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N
InChIInChI1.03 InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H
InChIKeyInChI1.03 PMKMHLVHNOXPOY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 14537247
ChEMBL CHEMBL65053