6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C26H20N2O5 — CID 56615103

IUPAC6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(CC)c(=O)c5cc4c3=O)cc2)cc1
InChIInChI=1S/C26H20N2O5/c1-3-15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)28-25(31)21-13-19-20(14-22(21)26(28)32)24(30)27(4-2)23(19)29/h5-14H,3-4H2,1-2H3
InChIKeyQSDSZPSUTRYQOF-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.28
Rot. Bonds5

About 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 56615103) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID56615103
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(CC)c(=O)c5cc4c3=O)cc2)cc1
InChIInChI=1S/C26H20N2O5/c1-3-15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)28-25(31)21-13-19-20(14-22(21)26(28)32)24(30)27(4-2)23(19)29/h5-14H,3-4H2,1-2H3
InChIKeyQSDSZPSUTRYQOF-UHFFFAOYSA-N
XLogP3.28
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 56615103) is 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCc1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(CC)c(=O)c5cc4c3=O)cc2)cc1.
What is the InChIKey of 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is QSDSZPSUTRYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c1-3-15-5-9-17(10-6-15)33-18-11-7-16(8-12-18)28-25(31)21-13-19-20(14-22(21)26(28)32)24(30)27(4-2)23(19)29/h5-14H,3-4H2,1-2H3.
What are the key properties of 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 440.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[4-(4-ethylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 56615103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).