2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione

C23H19NO2 — CID 14368628

IUPAC2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
SMILESCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19NO2/c1-16(24-22(25)20-9-5-6-10-21(20)23(24)26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
InChIKeyUSTOQZINZFKYRW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.58
Rot. Bonds4

About 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione

2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione (PubChem CID 14368628) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
PubChem CID14368628
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
SMILESCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H19NO2/c1-16(24-22(25)20-9-5-6-10-21(20)23(24)26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
InChIKeyUSTOQZINZFKYRW-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.58
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

2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
2-[4-(4-chlorophenyl)-3-(4-phenylphenyl)butan-2-yl]isoindole-1,3-dione
CID 19073645
1-(3,4-dimethoxyphenyl)propan-2-amine;2-[1-(3,4-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
CID 159156750
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
(4-phenylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748086
3,4-bis(ethenyl)-1-(1-phenylpropan-2-yl)pyrrole-2,5-dione;ethane
CID 142067637
2-[3-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-(4-fluorophenyl)propanoic acid
CID 53215778
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione
CID 175293844
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione (CID 14368628) is 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione is CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is USTOQZINZFKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16(24-22(25)20-9-5-6-10-21(20)23(24)26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3.
What are the key properties of 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione?
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 341.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 14368628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).