4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

C25H16O3 — CID 154715054

IUPAC4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1ccccc1)=C2c1ccc2ccccc2c1
InChIInChI=1S/C25H16O3/c26-21-12-14-25(15-13-21)23(20-11-10-17-6-4-5-9-19(17)16-20)22(24(27)28-25)18-7-2-1-3-8-18/h1-16H
InChIKeyZEAHDGPZKOUWAC-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.74
Rot. Bonds2

About 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 154715054) has the molecular formula C25H16O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID154715054
Molecular FormulaC25H16O3
Molecular Weight364.40 g/mol
Exact Mass364.11
IUPAC Name4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1ccccc1)=C2c1ccc2ccccc2c1
InChIInChI=1S/C25H16O3/c26-21-12-14-25(15-13-21)23(20-11-10-17-6-4-5-9-19(17)16-20)22(24(27)28-25)18-7-2-1-3-8-18/h1-16H
InChIKeyZEAHDGPZKOUWAC-UHFFFAOYSA-N
XLogP4.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
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 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 154715054) is 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is O=C1C=CC2(C=C1)OC(=O)C(c1ccccc1)=C2c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is ZEAHDGPZKOUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O3/c26-21-12-14-25(15-13-21)23(20-11-10-17-6-4-5-9-19(17)16-20)22(24(27)28-25)18-7-2-1-3-8-18/h1-16H.
What are the key properties of 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 364.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 154715054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).