9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C20H12N2O3 — CID 11844478

IUPAC9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1cc(-c1ccccc1)c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H12N2O3/c23-11-6-7-15-13(8-11)16-17-14(19(24)22-20(17)25)9-12(18(16)21-15)10-4-2-1-3-5-10/h1-9,21,23H,(H,22,24,25)
InChIKeyJAOYGNATKXULEG-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.58
Rot. Bonds1

About 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11844478) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11844478
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1cc(-c1ccccc1)c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H12N2O3/c23-11-6-7-15-13(8-11)16-17-14(19(24)22-20(17)25)9-12(18(16)21-15)10-4-2-1-3-5-10/h1-9,21,23H,(H,22,24,25)
InChIKeyJAOYGNATKXULEG-UHFFFAOYSA-N
XLogP3.58
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.58
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-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11844478) is 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1cc(-c1ccccc1)c1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is JAOYGNATKXULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-11-6-7-15-13(8-11)16-17-14(19(24)22-20(17)25)9-12(18(16)21-15)10-4-2-1-3-5-10/h1-9,21,23H,(H,22,24,25).
What are the key properties of 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 328.33 g/mol, XLogP of 3.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11844478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).