Malachite green 3D structure

Malachite green (also called Malachite green cation, Basic Green 4 oxalate) has the formula C23H25N2+ and a molar mass of 329.5 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C23H25N2+
Molar mass
329.5 g/mol
PubChem CID
11295
Heavy atoms
25
Category
Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
PubChem CID11295
Other namesMalachite green cation, Basic Green 4 oxalate

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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