9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C21H11F3N2O3 — CID 11844609

IUPAC9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1C(F)(F)F)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C21H11F3N2O3/c22-21(23,24)13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(28)26-20(18)29)12-7-9(27)5-6-14(12)25-15/h1-8,25,27H,(H,26,28,29)
InChIKeyLLSKCTDKJYZJNL-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.60
Rot. Bonds1

About 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione

9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11844609) has the molecular formula C21H11F3N2O3 and a molecular weight of 396.32 g/mol. Its IUPAC name is 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11844609
Molecular FormulaC21H11F3N2O3
Molecular Weight396.32 g/mol
Exact Mass396.07
IUPAC Name9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1C(F)(F)F)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C21H11F3N2O3/c22-21(23,24)13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(28)26-20(18)29)12-7-9(27)5-6-14(12)25-15/h1-8,25,27H,(H,26,28,29)
InChIKeyLLSKCTDKJYZJNL-UHFFFAOYSA-N
XLogP4.60
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.60
H-Bond Donors ≤ 53
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 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11844609) is 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1C(F)(F)F)cc1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is LLSKCTDKJYZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F3N2O3/c22-21(23,24)13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(28)26-20(18)29)12-7-9(27)5-6-14(12)25-15/h1-8,25,27H,(H,26,28,29).
What are the key properties of 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 396.32 g/mol, XLogP of 4.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11844609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).