(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one

C23H19NO — CID 175973141

IUPAC(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESNc1ccc(C=Cc2ccccc2)cc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C23H19NO/c24-22-15-13-19(12-11-18-7-3-1-4-8-18)17-21(22)14-16-23(25)20-9-5-2-6-10-20/h1-17H,24H2/b12-11?,16-14+
InChIKeyAOQGLVZQWOIKPY-PKPZOTFKSA-N
MW325.41 g/mol
LogP5.34
Rot. Bonds5

About (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one

(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 175973141) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
PubChem CID175973141
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESNc1ccc(C=Cc2ccccc2)cc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C23H19NO/c24-22-15-13-19(12-11-18-7-3-1-4-8-18)17-21(22)14-16-23(25)20-9-5-2-6-10-20/h1-17H,24H2/b12-11?,16-14+
InChIKeyAOQGLVZQWOIKPY-PKPZOTFKSA-N
XLogP5.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-(3-amino-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 57146886
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-amino-3-(2-phenylethenyl)benzoyl chloride
CID 174665698
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one (CID 175973141) is (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one is Nc1ccc(C=Cc2ccccc2)cc1/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is AOQGLVZQWOIKPY-PKPZOTFKSA-N. The full InChI is InChI=1S/C23H19NO/c24-22-15-13-19(12-11-18-7-3-1-4-8-18)17-21(22)14-16-23(25)20-9-5-2-6-10-20/h1-17H,24H2/b12-11?,16-14+.
What are the key properties of (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 325.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 175973141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).