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

C21H14N2O3 — CID 11844346

IUPAC9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O
InChIInChI=1S/C21H14N2O3/c1-10-15(11-5-3-2-4-6-11)17-18(21(26)23-20(17)25)16-13-9-12(24)7-8-14(13)22-19(10)16/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyVSRJNUJBZJHPRT-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.89
Rot. Bonds1

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

9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11844346) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11844346
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O
InChIInChI=1S/C21H14N2O3/c1-10-15(11-5-3-2-4-6-11)17-18(21(26)23-20(17)25)16-13-9-12(24)7-8-14(13)22-19(10)16/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyVSRJNUJBZJHPRT-UHFFFAOYSA-N
XLogP3.89
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.89
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-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11844346) is 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is Cc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O.
What is the InChIKey of 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is VSRJNUJBZJHPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c1-10-15(11-5-3-2-4-6-11)17-18(21(26)23-20(17)25)16-13-9-12(24)7-8-14(13)22-19(10)16/h2-9,22,24H,1H3,(H,23,25,26).
What are the key properties of 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 342.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11844346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).