N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline

C28H26N4 — CID 4287495

IUPACN-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
SMILESCN(N=C(C(=NN(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N4/c1-31(25-19-11-5-12-20-25)29-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30-32(2)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyKGYUYHVERATBFZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.07
Rot. Bonds7

About N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline

N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline (PubChem CID 4287495) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline.

Molecular Properties

Compound NameN-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
PubChem CID4287495
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC NameN-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
SMILESCN(N=C(C(=NN(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26N4/c1-31(25-19-11-5-12-20-25)29-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30-32(2)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyKGYUYHVERATBFZ-UHFFFAOYSA-N
XLogP6.07
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
N-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)ethylideneamino]aniline
CID 71404149
methyl (E)-4-[methyl(phenyl)hydrazinylidene]-4-phenylbut-2-enoate
CID 5356889
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
[4-[C-methyl-N-(N-methylanilino)carbonimidoyl]phenyl] acetate
CID 139783652
N-(1-ethoxybutan-2-ylideneamino)-N-methylaniline
CID 87707470
N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
CID 10333162
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline?
The IUPAC name of N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline (CID 4287495) is N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline.
What is the SMILES notation for N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline?
The canonical SMILES for N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline is CN(N=C(C(=NN(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline?
The InChIKey is KGYUYHVERATBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-31(25-19-11-5-12-20-25)29-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30-32(2)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline?
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline has a molecular weight of 418.54 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline is sourced from PubChem (CID 4287495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).