2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one

C30H20O3 — CID 25141197

IUPAC2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one
SMILESO=C1OC(O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C30H20O3/c31-29-27(28(30(32)33-29)26-15-13-20-7-2-4-9-22(20)17-26)25-11-5-10-23(18-25)24-14-12-19-6-1-3-8-21(19)16-24/h1-18,29,31H
InChIKeyAXWQJVPOSBAMCI-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.45
Rot. Bonds3

About 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one

2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one (PubChem CID 25141197) has the molecular formula C30H20O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one
PubChem CID25141197
Molecular FormulaC30H20O3
Molecular Weight428.49 g/mol
Exact Mass428.14
IUPAC Name2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one
SMILESO=C1OC(O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C30H20O3/c31-29-27(28(30(32)33-29)26-15-13-20-7-2-4-9-22(20)17-26)25-11-5-10-23(18-25)24-14-12-19-6-1-3-8-21(19)16-24/h1-18,29,31H
InChIKeyAXWQJVPOSBAMCI-UHFFFAOYSA-N
XLogP6.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one (CID 25141197) is 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one is O=C1OC(O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one?
The InChIKey is AXWQJVPOSBAMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O3/c31-29-27(28(30(32)33-29)26-15-13-20-7-2-4-9-22(20)17-26)25-11-5-10-23(18-25)24-14-12-19-6-1-3-8-21(19)16-24/h1-18,29,31H.
What are the key properties of 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one?
2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one has a molecular weight of 428.49 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-naphthalen-2-yl-3-(3-naphthalen-2-ylphenyl)-2H-furan-5-one is sourced from PubChem (CID 25141197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).