9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

C21H14N2O3 — CID 11844345

IUPAC9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
InChIKeyMHWRNXHKFDXQQP-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.59
Rot. Bonds1

About 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11844345) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11844345
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
InChIKeyMHWRNXHKFDXQQP-UHFFFAOYSA-N
XLogP3.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 11844345) is 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is Cn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O.
What is the InChIKey of 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is MHWRNXHKFDXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26).
What are the key properties of 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 342.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11844345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).