2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C22H12N2O6 — CID 628572

IUPAC2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4O)c(=O)c3cc2c(=O)n1-c1ccccc1O
InChIInChI=1S/C22H12N2O6/c25-17-7-3-1-5-15(17)23-19(27)11-9-13-14(10-12(11)20(23)28)22(30)24(21(13)29)16-6-2-4-8-18(16)26/h1-10,25-26H
InChIKeyWYKSZSGFWPSFIS-UHFFFAOYSA-N
MW400.35 g/mol
LogP1.30
Rot. Bonds2

About 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 628572) has the molecular formula C22H12N2O6 and a molecular weight of 400.35 g/mol. Its IUPAC name is 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID628572
Molecular FormulaC22H12N2O6
Molecular Weight400.35 g/mol
Exact Mass400.07
IUPAC Name2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4O)c(=O)c3cc2c(=O)n1-c1ccccc1O
InChIInChI=1S/C22H12N2O6/c25-17-7-3-1-5-15(17)23-19(27)11-9-13-14(10-12(11)20(23)28)22(30)24(21(13)29)16-6-2-4-8-18(16)26/h1-10,25-26H
InChIKeyWYKSZSGFWPSFIS-UHFFFAOYSA-N
XLogP1.30
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 628572) is 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4ccccc4O)c(=O)c3cc2c(=O)n1-c1ccccc1O.
What is the InChIKey of 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is WYKSZSGFWPSFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O6/c25-17-7-3-1-5-15(17)23-19(27)11-9-13-14(10-12(11)20(23)28)22(30)24(21(13)29)16-6-2-4-8-18(16)26/h1-10,25-26H.
What are the key properties of 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 400.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 628572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).