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

C27H15F3N2O2 — CID 118972487

IUPAC4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C27H15F3N2O2/c28-27(29,30)19-11-3-6-14-22(19)32-25(33)18-10-7-15-23(24(18)26(32)34)31-20-12-4-1-8-16(20)17-9-2-5-13-21(17)31/h1-15H
InChIKeyRSHCMMXHCRBXKV-UHFFFAOYSA-N
MW456.42 g/mol
LogP6.60
Rot. Bonds2

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

4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 118972487) has the molecular formula C27H15F3N2O2 and a molecular weight of 456.42 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID118972487
Molecular FormulaC27H15F3N2O2
Molecular Weight456.42 g/mol
Exact Mass456.11
IUPAC Name4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C27H15F3N2O2/c28-27(29,30)19-11-3-6-14-22(19)32-25(33)18-10-7-15-23(24(18)26(32)34)31-20-12-4-1-8-16(20)17-9-2-5-13-21(17)31/h1-15H
InChIKeyRSHCMMXHCRBXKV-UHFFFAOYSA-N
XLogP6.60
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 56.60
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-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 118972487) is 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is RSHCMMXHCRBXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F3N2O2/c28-27(29,30)19-11-3-6-14-22(19)32-25(33)18-10-7-15-23(24(18)26(32)34)31-20-12-4-1-8-16(20)17-9-2-5-13-21(17)31/h1-15H.
What are the key properties of 4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione?
4-carbazol-9-yl-2-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 456.42 g/mol, XLogP of 6.60, 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-[2-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).