Leucomalachite green

C23H26N2 — CID 67215

IUPAC4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
InChIInChI=1S/C23H26N2/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/h5-17,23H,1-4H3
InChIKeyWZKXBGJNNCGHIC-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.30
Rot. Bonds5

About Leucomalachite green

Leucomalachite green (PubChem CID 67215) has the molecular formula C23H26N2 and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound NameLeucomalachite green
PubChem CID67215
Molecular FormulaC23H26N2
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC Name4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
InChIInChI=1S/C23H26N2/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/h5-17,23H,1-4H3
InChIKeyWZKXBGJNNCGHIC-UHFFFAOYSA-N
XLogP5.30
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity342

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Crystal Violet
CID 11057
Dimethyl-p-toluidine
CID 7471
Malachite Green
CID 11294
Trimipramine
CID 5584
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
Gentian violet cation
CID 3468
C.I. Basic Yellow 2
CID 17170
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
Malachite green cation
CID 11295

Frequently Asked Questions

What is the IUPAC name of Leucomalachite green?
The IUPAC name of Leucomalachite green (CID 67215) is 4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for Leucomalachite green?
The canonical SMILES for Leucomalachite green is CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C.
What is the InChIKey of Leucomalachite green?
The InChIKey is WZKXBGJNNCGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/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/h5-17,23H,1-4H3.
What are the key properties of Leucomalachite green?
Leucomalachite green has a molecular weight of 330.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Leucomalachite green is sourced from PubChem (CID 67215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).