5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one

C24H24N2O2 — CID 137158258

IUPAC5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
SMILESCCCCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-2-3-4-11-16-26-22(18-14-9-6-10-15-18)20-19(24(26)28)21(25-23(20)27)17-12-7-5-8-13-17/h5-10,12-15,28H,2-4,11,16H2,1H3
InChIKeyDBNVNDFHCJSCAY-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.43
Rot. Bonds7

About 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one

5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one (PubChem CID 137158258) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
PubChem CID137158258
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
SMILESCCCCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-2-3-4-11-16-26-22(18-14-9-6-10-15-18)20-19(24(26)28)21(25-23(20)27)17-12-7-5-8-13-17/h5-10,12-15,28H,2-4,11,16H2,1H3
InChIKeyDBNVNDFHCJSCAY-UHFFFAOYSA-N
XLogP5.43
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one (CID 137158258) is 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one is CCCCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1.
What is the InChIKey of 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is DBNVNDFHCJSCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-3-4-11-16-26-22(18-14-9-6-10-15-18)20-19(24(26)28)21(25-23(20)27)17-12-7-5-8-13-17/h5-10,12-15,28H,2-4,11,16H2,1H3.
What are the key properties of 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 372.47 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 137158258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).