3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one

C28H19NO — CID 163359169

IUPAC3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1cccc2cc3ccccc3nc12)c1ccccc1
InChIInChI=1S/C28H19NO/c30-27(21-10-2-1-3-11-21)18-17-20-9-4-6-14-24(20)25-15-8-13-23-19-22-12-5-7-16-26(22)29-28(23)25/h1-19H
InChIKeyJSUCFHQINIAUMM-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.95
Rot. Bonds4

About 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one

3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 163359169) has the molecular formula C28H19NO and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one
PubChem CID163359169
Molecular FormulaC28H19NO
Molecular Weight385.47 g/mol
Exact Mass385.15
IUPAC Name3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1cccc2cc3ccccc3nc12)c1ccccc1
InChIInChI=1S/C28H19NO/c30-27(21-10-2-1-3-11-21)18-17-20-9-4-6-14-24(20)25-15-8-13-23-19-22-12-5-7-16-26(22)29-28(23)25/h1-19H
InChIKeyJSUCFHQINIAUMM-UHFFFAOYSA-N
XLogP6.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-acridin-4-yl-1-(4-fluorophenyl)prop-2-en-1-one
CID 163359111
1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
CID 175171565
4-acridin-1-yl-2-methylidenebut-3-enoic acid
CID 159188552
acridine-4-carboxamide
CID 3025721
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
1-quinolin-3-yl-3-[2-(1-tritylimidazol-4-yl)phenyl]prop-2-en-1-one
CID 154006100
3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-(2-amino-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 174590880
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367

Frequently Asked Questions

What is the IUPAC name of 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one (CID 163359169) is 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1-c1cccc2cc3ccccc3nc12)c1ccccc1.
What is the InChIKey of 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is JSUCFHQINIAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO/c30-27(21-10-2-1-3-11-21)18-17-20-9-4-6-14-24(20)25-15-8-13-23-19-22-12-5-7-16-26(22)29-28(23)25/h1-19H.
What are the key properties of 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one?
3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 385.47 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 163359169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).