HK3

4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol

Created:2012-07-02
Last modified:  2012-07-02

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12
2D diagram of HK3

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.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
Systematic Name (OpenEye OEToolkits)4-[4-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)phenyl]phenol
FormulaC24 H18 N2 O3
Molecular Weight382.411
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)c5ccc(C=3N=NC4=C2C(C=C(OC)C(OC)=C2)=CC=34)cc5
SMILESCACTVS3.370COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(O)cc5
SMILESOpenEye OEToolkits1.7.6COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O
Canonical SMILESCACTVS3.370 COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(O)cc5
Canonical SMILESOpenEye OEToolkits1.7.6 COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O
InChIInChI1.03 InChI=1S/C24H18N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-13,27H,1-2H3
InChIKeyInChI1.03 XYLHIQKMKPVWAM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137349516