4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one

C23H16O — CID 134969765

IUPAC4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
SMILESO=C1CCc2c1cc1ccccc1c2-c1cccc2ccccc12
InChIInChI=1S/C23H16O/c24-22-13-12-20-21(22)14-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-11,14H,12-13H2
InChIKeyGYGTZFFPKGBHFR-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.79
Rot. Bonds1

About 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one

4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one (PubChem CID 134969765) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one.

Molecular Properties

Compound Name4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
PubChem CID134969765
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
SMILESO=C1CCc2c1cc1ccccc1c2-c1cccc2ccccc12
InChIInChI=1S/C23H16O/c24-22-13-12-20-21(22)14-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-11,14H,12-13H2
InChIKeyGYGTZFFPKGBHFR-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-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

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The IUPAC name of 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one (CID 134969765) is 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one.
What is the SMILES notation for 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The canonical SMILES for 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one is O=C1CCc2c1cc1ccccc1c2-c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The InChIKey is GYGTZFFPKGBHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c24-22-13-12-20-21(22)14-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-11,14H,12-13H2.
What are the key properties of 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one is sourced from PubChem (CID 134969765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).