6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C30H20N2O6 — CID 56614306

IUPAC6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)cc2)cc1
InChIInChI=1S/C30H20N2O6/c1-17-3-7-19(8-4-17)37-21-11-13-22(14-12-21)38-20-9-5-18(6-10-20)32-29(35)25-15-23-24(16-26(25)30(32)36)28(34)31(2)27(23)33/h3-16H,1-2H3
InChIKeyKNBDOKXFHWUSPN-UHFFFAOYSA-N
MW504.50 g/mol
LogP4.33
Rot. Bonds5

About 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 56614306) has the molecular formula C30H20N2O6 and a molecular weight of 504.50 g/mol. Its IUPAC name is 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID56614306
Molecular FormulaC30H20N2O6
Molecular Weight504.50 g/mol
Exact Mass504.13
IUPAC Name6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)cc2)cc1
InChIInChI=1S/C30H20N2O6/c1-17-3-7-19(8-4-17)37-21-11-13-22(14-12-21)38-20-9-5-18(6-10-20)32-29(35)25-15-23-24(16-26(25)30(32)36)28(34)31(2)27(23)33/h3-16H,1-2H3
InChIKeyKNBDOKXFHWUSPN-UHFFFAOYSA-N
XLogP4.33
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 56614306) is 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)cc2)cc1.
What is the InChIKey of 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KNBDOKXFHWUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O6/c1-17-3-7-19(8-4-17)37-21-11-13-22(14-12-21)38-20-9-5-18(6-10-20)32-29(35)25-15-23-24(16-26(25)30(32)36)28(34)31(2)27(23)33/h3-16H,1-2H3.
What are the key properties of 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 504.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 56614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).