(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one

C25H18O — CID 59427156

IUPAC(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18O/c26-25-18-15-21-13-7-8-14-23(21)24(25)17-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H/b24-17+
InChIKeyCDBYWEZHMJURSC-JJIBRWJFSA-N
MW334.42 g/mol
LogP5.80
Rot. Bonds3

About (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one

(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one (PubChem CID 59427156) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one.

Molecular Properties

Compound Name(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
PubChem CID59427156
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18O/c26-25-18-15-21-13-7-8-14-23(21)24(25)17-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H/b24-17+
InChIKeyCDBYWEZHMJURSC-JJIBRWJFSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one?
The IUPAC name of (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one (CID 59427156) is (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one.
What is the SMILES notation for (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one?
The canonical SMILES for (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one is O=C1C=Cc2ccccc2/C1=C\C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one?
The InChIKey is CDBYWEZHMJURSC-JJIBRWJFSA-N. The full InChI is InChI=1S/C25H18O/c26-25-18-15-21-13-7-8-14-23(21)24(25)17-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H/b24-17+.
What are the key properties of (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one?
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one has a molecular weight of 334.42 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one is sourced from PubChem (CID 59427156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).