2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one

C22H17NO — CID 141288121

IUPAC2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(C=Cc2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO/c24-22-20-14-8-7-13-19(20)21(16-15-17-9-3-1-4-10-17)23(22)18-11-5-2-6-12-18/h1-16,21H
InChIKeyFCVZLZSOQLHRDE-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.10
Rot. Bonds3

About 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one

2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one (PubChem CID 141288121) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one
PubChem CID141288121
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(C=Cc2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO/c24-22-20-14-8-7-13-19(20)21(16-15-17-9-3-1-4-10-17)23(22)18-11-5-2-6-12-18/h1-16,21H
InChIKeyFCVZLZSOQLHRDE-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one?
The IUPAC name of 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one (CID 141288121) is 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one is O=C1c2ccccc2C(C=Cc2ccccc2)N1c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one?
The InChIKey is FCVZLZSOQLHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-22-20-14-8-7-13-19(20)21(16-15-17-9-3-1-4-10-17)23(22)18-11-5-2-6-12-18/h1-16,21H.
What are the key properties of 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one?
2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one has a molecular weight of 311.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one is sourced from PubChem (CID 141288121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).