2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione

C24H19NO2 — CID 70596495

IUPAC2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2/c1-17(19-11-5-6-12-20(19)18-9-3-2-4-10-18)15-16-25-23(26)21-13-7-8-14-22(21)24(25)27/h2-15H,16H2,1H3
InChIKeyQBGSIWLUONQKMU-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.05
Rot. Bonds4

About 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione

2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione (PubChem CID 70596495) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
PubChem CID70596495
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2/c1-17(19-11-5-6-12-20(19)18-9-3-2-4-10-18)15-16-25-23(26)21-13-7-8-14-22(21)24(25)27/h2-15H,16H2,1H3
InChIKeyQBGSIWLUONQKMU-UHFFFAOYSA-N
XLogP5.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
CID 70619881
2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione
CID 54254618
1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
CID 70595509
1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
CID 154384434
(Z)-4-(1,3-dioxoisoindol-2-yl)-2-fluorobut-2-enoic acid
CID 121008646
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]isoindole-1,3-dione
CID 13123287
2-[3-chloro-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione
CID 173405990
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052
2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
CID 54297598
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-(3-benzyl-4,4,4-trifluorobut-2-enyl)isoindole-1,3-dione
CID 66973657
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione (CID 70596495) is 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione is CC(=CCN1C(=O)c2ccccc2C1=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione?
The InChIKey is QBGSIWLUONQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-17(19-11-5-6-12-20(19)18-9-3-2-4-10-18)15-16-25-23(26)21-13-7-8-14-22(21)24(25)27/h2-15H,16H2,1H3.
What are the key properties of 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione?
2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione has a molecular weight of 353.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 70596495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).