1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one

C32H22O2 — CID 5009926

IUPAC1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H22O2/c33-31(29-16-14-25-8-1-3-10-27(25)21-29)18-12-23-6-5-7-24(20-23)13-19-32(34)30-17-15-26-9-2-4-11-28(26)22-30/h1-22H
InChIKeyOTFRRFAQAIJFJN-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.79
Rot. Bonds6

About 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one

1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one (PubChem CID 5009926) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
PubChem CID5009926
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H22O2/c33-31(29-16-14-25-8-1-3-10-27(25)21-29)18-12-23-6-5-7-24(20-23)13-19-32(34)30-17-15-26-9-2-4-11-28(26)22-30/h1-22H
InChIKeyOTFRRFAQAIJFJN-UHFFFAOYSA-N
XLogP7.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one 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

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one (CID 5009926) is 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one is O=C(C=Cc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one?
The InChIKey is OTFRRFAQAIJFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2/c33-31(29-16-14-25-8-1-3-10-27(25)21-29)18-12-23-6-5-7-24(20-23)13-19-32(34)30-17-15-26-9-2-4-11-28(26)22-30/h1-22H.
What are the key properties of 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one?
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one has a molecular weight of 438.53 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 5009926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).