Malachite Green

C23H25ClN2 — CID 11294

IUPAC[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
InChIInChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
InChIKeyFDZZZRQASAIRJF-UHFFFAOYSA-M
MW364.90 g/mol
LogP—
Rot. Bonds3

About Malachite Green

Malachite Green (PubChem CID 11294) has the molecular formula C23H25ClN2 and a molecular weight of 364.90 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.

Molecular Properties

Compound NameMalachite Green
PubChem CID11294
Molecular FormulaC23H25ClN2
Molecular Weight364.90 g/mol
Exact Mass364.17
IUPAC Name[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
InChIInChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
InChIKeyFDZZZRQASAIRJF-UHFFFAOYSA-M
XLogP—
TPSA6.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity516

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze Malachite Green with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Crystal Violet
CID 11057
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Brilliant Green
CID 12449
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
Magenta Base
CID 12448
Pararosaniline Hydrochloride
CID 11292
Gentian violet cation
CID 3468
C.I. Basic Yellow 2
CID 17170
Basic violet 14
CID 12447
Basic Violet 4
CID 16955

Frequently Asked Questions

What is the IUPAC name of Malachite Green?
The IUPAC name of Malachite Green (CID 11294) is [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
What is the SMILES notation for Malachite Green?
The canonical SMILES for Malachite Green is CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-].
What is the InChIKey of Malachite Green?
The InChIKey is FDZZZRQASAIRJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1.
What are the key properties of Malachite Green?
Malachite Green has a molecular weight of 364.90 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Malachite Green is sourced from PubChem (CID 11294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).