2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

C33H19F3N2O2 — CID 134233876

IUPAC2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C33H19F3N2O2/c34-33(35,36)22-16-17-28-26(19-22)24-12-4-5-14-27(24)38(28)29-15-7-13-25-30(29)32(40)37(31(25)39)23-11-6-10-21(18-23)20-8-2-1-3-9-20/h1-19H
InChIKeyVPMLOLAFFUCFPV-UHFFFAOYSA-N
MW532.52 g/mol
LogP8.27
Rot. Bonds3

About 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 134233876) has the molecular formula C33H19F3N2O2 and a molecular weight of 532.52 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
PubChem CID134233876
Molecular FormulaC33H19F3N2O2
Molecular Weight532.52 g/mol
Exact Mass532.14
IUPAC Name2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C33H19F3N2O2/c34-33(35,36)22-16-17-28-26(19-22)24-12-4-5-14-27(24)38(28)29-15-7-13-25-30(29)32(40)37(31(25)39)23-11-6-10-21(18-23)20-8-2-1-3-9-20/h1-19H
InChIKeyVPMLOLAFFUCFPV-UHFFFAOYSA-N
XLogP8.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.52
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (CID 134233876) is 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is VPMLOLAFFUCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19F3N2O2/c34-33(35,36)22-16-17-28-26(19-22)24-12-4-5-14-27(24)38(28)29-15-7-13-25-30(29)32(40)37(31(25)39)23-11-6-10-21(18-23)20-8-2-1-3-9-20/h1-19H.
What are the key properties of 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 532.52 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 134233876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).