2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione

C32H21NO3 — CID 11328819

IUPAC2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
SMILESO=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1O
InChIInChI=1S/C32H21NO3/c34-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(35)33(31)36/h1-20,36H
InChIKeyCNRMRKSNOUGQLV-UHFFFAOYSA-N
MW467.52 g/mol
LogP7.34
Rot. Bonds4

About 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione

2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione (PubChem CID 11328819) has the molecular formula C32H21NO3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
PubChem CID11328819
Molecular FormulaC32H21NO3
Molecular Weight467.52 g/mol
Exact Mass467.15
IUPAC Name2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
SMILESO=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1O
InChIInChI=1S/C32H21NO3/c34-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(35)33(31)36/h1-20,36H
InChIKeyCNRMRKSNOUGQLV-UHFFFAOYSA-N
XLogP7.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione?
The IUPAC name of 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione (CID 11328819) is 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione.
What is the SMILES notation for 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione?
The canonical SMILES for 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione is O=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1O.
What is the InChIKey of 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione?
The InChIKey is CNRMRKSNOUGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO3/c34-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(35)33(31)36/h1-20,36H.
What are the key properties of 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione?
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione has a molecular weight of 467.52 g/mol, XLogP of 7.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione is sourced from PubChem (CID 11328819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).