1-(3,3-diphenylisoindol-1-yl)ethanone

C22H17NO — CID 14570453

IUPAC1-(3,3-diphenylisoindol-1-yl)ethanone
SMILESCC(=O)C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-16(24)21-19-14-8-9-15-20(19)22(23-21,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyFEXPSVCGPATNJL-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.37
Rot. Bonds3

About 1-(3,3-diphenylisoindol-1-yl)ethanone

1-(3,3-diphenylisoindol-1-yl)ethanone (PubChem CID 14570453) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3,3-diphenylisoindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-diphenylisoindol-1-yl)ethanone
PubChem CID14570453
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name1-(3,3-diphenylisoindol-1-yl)ethanone
SMILESCC(=O)C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-16(24)21-19-14-8-9-15-20(19)22(23-21,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyFEXPSVCGPATNJL-UHFFFAOYSA-N
XLogP4.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylisoindol-1-yl)ethanone?
The IUPAC name of 1-(3,3-diphenylisoindol-1-yl)ethanone (CID 14570453) is 1-(3,3-diphenylisoindol-1-yl)ethanone.
What is the SMILES notation for 1-(3,3-diphenylisoindol-1-yl)ethanone?
The canonical SMILES for 1-(3,3-diphenylisoindol-1-yl)ethanone is CC(=O)C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(3,3-diphenylisoindol-1-yl)ethanone?
The InChIKey is FEXPSVCGPATNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16(24)21-19-14-8-9-15-20(19)22(23-21,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of 1-(3,3-diphenylisoindol-1-yl)ethanone?
1-(3,3-diphenylisoindol-1-yl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylisoindol-1-yl)ethanone is sourced from PubChem (CID 14570453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).