5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione

C21H12F3NO2 — CID 102360830

IUPAC5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H12F3NO2/c22-21(23,24)15-7-9-16(10-8-15)25-19(26)17-11-6-14(12-18(17)20(25)27)13-4-2-1-3-5-13/h1-12H
InChIKeyNJBOVMPXMKDDCR-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.17
Rot. Bonds2

About 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione

5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 102360830) has the molecular formula C21H12F3NO2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID102360830
Molecular FormulaC21H12F3NO2
Molecular Weight367.33 g/mol
Exact Mass367.08
IUPAC Name5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H12F3NO2/c22-21(23,24)15-7-9-16(10-8-15)25-19(26)17-11-6-14(12-18(17)20(25)27)13-4-2-1-3-5-13/h1-12H
InChIKeyNJBOVMPXMKDDCR-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.17
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-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
5-(4-aminophenyl)-2-[4-[4-[3-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]isoindole-1,3-dione
CID 171043367
5-(4-aminophenyl)-2-[4-[4-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]isoindole-1,3-dione
CID 171043423
5-[4-(trifluoromethyl)phenyl]-2-benzofuran-1,3-dione
CID 89288630
5-(1,3-dioxoisoindol-5-yl)-2-[4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenyl]isoindole-1,3-dione
CID 166033731
3-phenyl-4-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562068
5-nitro-2-[4-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]-diphenylmethyl]phenyl]isoindole-1,3-dione
CID 17018691
5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))
CID 171415465
4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 129062156
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(4-fluorophenyl)-5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 2832096
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 102360830) is 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione is O=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is NJBOVMPXMKDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NO2/c22-21(23,24)15-7-9-16(10-8-15)25-19(26)17-11-6-14(12-18(17)20(25)27)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 367.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 102360830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).