9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

C22H16N2O4 — CID 10248686

IUPAC9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCO
InChIInChI=1S/C22H16N2O4/c25-9-8-24-16-7-6-13(26)10-15(16)18-17(24)11-14(12-4-2-1-3-5-12)19-20(18)22(28)23-21(19)27/h1-7,10-11,25-26H,8-9H2,(H,23,27,28)
InChIKeyHFSVLFVYELZPSL-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.04
Rot. Bonds3

About 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10248686) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10248686
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCO
InChIInChI=1S/C22H16N2O4/c25-9-8-24-16-7-6-13(26)10-15(16)18-17(24)11-14(12-4-2-1-3-5-12)19-20(18)22(28)23-21(19)27/h1-7,10-11,25-26H,8-9H2,(H,23,27,28)
InChIKeyHFSVLFVYELZPSL-UHFFFAOYSA-N
XLogP3.04
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 10248686) is 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCO.
What is the InChIKey of 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is HFSVLFVYELZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-9-8-24-16-7-6-13(26)10-15(16)18-17(24)11-14(12-4-2-1-3-5-12)19-20(18)22(28)23-21(19)27/h1-7,10-11,25-26H,8-9H2,(H,23,27,28).
What are the key properties of 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 372.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10248686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).