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

C24H16N2O6 — CID 1097764

IUPAC2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCOc1ccccc1-n1c(=O)c2cc3c(=O)n(-c4ccccc4OC)c(=O)c3cc2c1=O
InChIInChI=1S/C24H16N2O6/c1-31-19-9-5-3-7-17(19)25-21(27)13-11-15-16(12-14(13)22(25)28)24(30)26(23(15)29)18-8-4-6-10-20(18)32-2/h3-12H,1-2H3
InChIKeyZWFSTXYAMFERAV-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.91
Rot. Bonds4

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

2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 1097764) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID1097764
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCOc1ccccc1-n1c(=O)c2cc3c(=O)n(-c4ccccc4OC)c(=O)c3cc2c1=O
InChIInChI=1S/C24H16N2O6/c1-31-19-9-5-3-7-17(19)25-21(27)13-11-15-16(12-14(13)22(25)28)24(30)26(23(15)29)18-8-4-6-10-20(18)32-2/h3-12H,1-2H3
InChIKeyZWFSTXYAMFERAV-UHFFFAOYSA-N
XLogP1.91
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 1097764) is 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is COc1ccccc1-n1c(=O)c2cc3c(=O)n(-c4ccccc4OC)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is ZWFSTXYAMFERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c1-31-19-9-5-3-7-17(19)25-21(27)13-11-15-16(12-14(13)22(25)28)24(30)26(23(15)29)18-8-4-6-10-20(18)32-2/h3-12H,1-2H3.
What are the key properties of 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 428.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 1097764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).