4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline

C23H20N2 — CID 142077134

IUPAC4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1N
InChIInChI=1S/C23H20N2/c24-22(15-13-19-9-5-2-6-10-19)21-17-20(14-16-23(21)25)12-11-18-7-3-1-4-8-18/h1-17,24H,25H2/b12-11+,15-13+,24-22+
InChIKeyBMBOSOZATVFVCF-REDJTDHJSA-N
MW324.43 g/mol
LogP5.52
Rot. Bonds5

About 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline

4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline (PubChem CID 142077134) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
PubChem CID142077134
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1N
InChIInChI=1S/C23H20N2/c24-22(15-13-19-9-5-2-6-10-19)21-17-20(14-16-23(21)25)12-11-18-7-3-1-4-8-18/h1-17,24H,25H2/b12-11+,15-13+,24-22+
InChIKeyBMBOSOZATVFVCF-REDJTDHJSA-N
XLogP5.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite
CID 142077055
4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142836110
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
ethyl 4-amino-2-fluoro-5-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]benzenecarboximidate
CID 142836408
(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
CID 143782029
(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
CID 175973141
4-amino-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enimidoyl]-2-methoxybenzoic acid
CID 142836212
N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide
CID 142836347
2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
CID 142836156
2-prop-2-enimidoylbenzene-1,4-diamine
CID 176988538
N-[4-amino-5-[(E)-3-phenylprop-2-enimidoyl]-2-pyrrolidin-1-ylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 89362695
[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
CID 171107503

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline?
The IUPAC name of 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline (CID 142077134) is 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1N.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline?
The InChIKey is BMBOSOZATVFVCF-REDJTDHJSA-N. The full InChI is InChI=1S/C23H20N2/c24-22(15-13-19-9-5-2-6-10-19)21-17-20(14-16-23(21)25)12-11-18-7-3-1-4-8-18/h1-17,24H,25H2/b12-11+,15-13+,24-22+.
What are the key properties of 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline?
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline has a molecular weight of 324.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline is sourced from PubChem (CID 142077134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).