[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium

C20H19N2+ — CID 91376355

IUPAC[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
SMILESC[NH+]=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1
InChIInChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/p+1/b20-17-,22-19+
InChIKeyGOGDHFKUBUFBDC-NEVXJGNOSA-O
MW287.39 g/mol
LogP2.35
Rot. Bonds2

About [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium

[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium (PubChem CID 91376355) has the molecular formula C20H19N2+ and a molecular weight of 287.39 g/mol. Its IUPAC name is [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium.

Molecular Properties

Compound Name[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
PubChem CID91376355
Molecular FormulaC20H19N2+
Molecular Weight287.39 g/mol
Exact Mass287.15
IUPAC Name[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
SMILESC[NH+]=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1
InChIInChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/p+1/b20-17-,22-19+
InChIKeyGOGDHFKUBUFBDC-NEVXJGNOSA-O
XLogP2.35
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium 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

4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
CID 70648511
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
4-[(3-chlorophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CID 23816707
4-[[4-(methylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
CID 101427600
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
CID 21118148
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11294
(4-aminophenyl)-phenylmethanone
CID 14346
dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
CID 10647411
4-[(4-iminocyclohexa-2,5-dien-1-ylidene)-(4-propylphenyl)methyl]aniline
CID 23845295
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
CID 10801751
CID 10801751

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium?
The IUPAC name of [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium (CID 91376355) is [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium.
What is the SMILES notation for [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium?
The canonical SMILES for [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium is C[NH+]=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1.
What is the InChIKey of [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium?
The InChIKey is GOGDHFKUBUFBDC-NEVXJGNOSA-O. The full InChI is InChI=1S/C20H18N2/c1-22-19-13-9-17(10-14-19)20(15-5-3-2-4-6-15)16-7-11-18(21)12-8-16/h2-14H,21H2,1H3/p+1/b20-17-,22-19+.
What are the key properties of [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium?
[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium has a molecular weight of 287.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium is sourced from PubChem (CID 91376355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).