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

C20H12N2O4 — CID 10405212

IUPAC9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccc(O)cc1)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H12N2O4/c23-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)5-6-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
InChIKeyPQSORISLEFIDIT-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.28
Rot. Bonds1

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

9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10405212) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10405212
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccc(O)cc1)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H12N2O4/c23-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)5-6-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
InChIKeyPQSORISLEFIDIT-UHFFFAOYSA-N
XLogP3.28
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 10405212) is 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccc(O)cc1)cc1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is PQSORISLEFIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c23-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)5-6-14(13)21-15/h1-8,21,23-24H,(H,22,25,26).
What are the key properties of 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 344.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-(4-hydroxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10405212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).