1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone

C27H20O — CID 139946466

IUPAC1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2C(c3ccccc3)=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C27H20O/c1-18(28)26-22-13-7-5-11-20(22)15-16-24(26)27-23-14-8-6-12-21(23)17-25(27)19-9-3-2-4-10-19/h2-17,27H,1H3
InChIKeyLYGUKTAPWWAFBN-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.73
Rot. Bonds3

About 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone

1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone (PubChem CID 139946466) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
PubChem CID139946466
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2C(c3ccccc3)=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C27H20O/c1-18(28)26-22-13-7-5-11-20(22)15-16-24(26)27-23-14-8-6-12-21(23)17-25(27)19-9-3-2-4-10-19/h2-17,27H,1H3
InChIKeyLYGUKTAPWWAFBN-UHFFFAOYSA-N
XLogP6.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone 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 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone (CID 139946466) is 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone is CC(=O)c1c(C2C(c3ccccc3)=Cc3ccccc32)ccc2ccccc12.
What is the InChIKey of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone?
The InChIKey is LYGUKTAPWWAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-18(28)26-22-13-7-5-11-20(22)15-16-24(26)27-23-14-8-6-12-21(23)17-25(27)19-9-3-2-4-10-19/h2-17,27H,1H3.
What are the key properties of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone?
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone is sourced from PubChem (CID 139946466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).