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

C26H20N2O6 — CID 11510826

IUPAC2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCOc1ccccc1Cn1c(=O)c2cc3c(=O)n(Cc4ccccc4OC)c(=O)c3cc2c1=O
InChIInChI=1S/C26H20N2O6/c1-33-21-9-5-3-7-15(21)13-27-23(29)17-11-19-20(12-18(17)24(27)30)26(32)28(25(19)31)14-16-8-4-6-10-22(16)34-2/h3-12H,13-14H2,1-2H3
InChIKeyHNNFMWKTTYJZCL-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.03
Rot. Bonds6

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

2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 11510826) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID11510826
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Name2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCOc1ccccc1Cn1c(=O)c2cc3c(=O)n(Cc4ccccc4OC)c(=O)c3cc2c1=O
InChIInChI=1S/C26H20N2O6/c1-33-21-9-5-3-7-15(21)13-27-23(29)17-11-19-20(12-18(17)24(27)30)26(32)28(25(19)31)14-16-8-4-6-10-22(16)34-2/h3-12H,13-14H2,1-2H3
InChIKeyHNNFMWKTTYJZCL-UHFFFAOYSA-N
XLogP2.03
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.03
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)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 11510826) is 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is COc1ccccc1Cn1c(=O)c2cc3c(=O)n(Cc4ccccc4OC)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is HNNFMWKTTYJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c1-33-21-9-5-3-7-15(21)13-27-23(29)17-11-19-20(12-18(17)24(27)30)26(32)28(25(19)31)14-16-8-4-6-10-22(16)34-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis[(2-methoxyphenyl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 456.45 g/mol, XLogP of 2.03, 6 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)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 11510826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).