4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione

C26H15FN2O2 — CID 118972330

IUPAC4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H15FN2O2/c27-16-12-14-17(15-13-16)28-25(30)20-8-5-11-23(24(20)26(28)31)29-21-9-3-1-6-18(21)19-7-2-4-10-22(19)29/h1-15H
InChIKeyOLWTWCMPAPSAOV-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.72
Rot. Bonds2

About 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione

4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione (PubChem CID 118972330) has the molecular formula C26H15FN2O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione
PubChem CID118972330
Molecular FormulaC26H15FN2O2
Molecular Weight406.42 g/mol
Exact Mass406.11
IUPAC Name4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H15FN2O2/c27-16-12-14-17(15-13-16)28-25(30)20-8-5-11-23(24(20)26(28)31)29-21-9-3-1-6-18(21)19-7-2-4-10-22(19)29/h1-15H
InChIKeyOLWTWCMPAPSAOV-UHFFFAOYSA-N
XLogP5.72
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.72
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 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione?
The IUPAC name of 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione (CID 118972330) is 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione?
The InChIKey is OLWTWCMPAPSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15FN2O2/c27-16-12-14-17(15-13-16)28-25(30)20-8-5-11-23(24(20)26(28)31)29-21-9-3-1-6-18(21)19-7-2-4-10-22(19)29/h1-15H.
What are the key properties of 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione?
4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione has a molecular weight of 406.42 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-(4-fluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 118972330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).