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

C24H16N2O6 — CID 1123732

IUPAC2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(O)ccc1-n1c(=O)c2cc3c(=O)n(-c4ccc(O)cc4C)c(=O)c3cc2c1=O
InChIInChI=1S/C24H16N2O6/c1-11-7-13(27)3-5-19(11)25-21(29)15-9-17-18(10-16(15)22(25)30)24(32)26(23(17)31)20-6-4-14(28)8-12(20)2/h3-10,27-28H,1-2H3
InChIKeyRYXPSGXVPQZGEF-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.92
Rot. Bonds2

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

2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 1123732) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID1123732
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(O)ccc1-n1c(=O)c2cc3c(=O)n(-c4ccc(O)cc4C)c(=O)c3cc2c1=O
InChIInChI=1S/C24H16N2O6/c1-11-7-13(27)3-5-19(11)25-21(29)15-9-17-18(10-16(15)22(25)30)24(32)26(23(17)31)20-6-4-14(28)8-12(20)2/h3-10,27-28H,1-2H3
InChIKeyRYXPSGXVPQZGEF-UHFFFAOYSA-N
XLogP1.92
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 1123732) is 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(O)ccc1-n1c(=O)c2cc3c(=O)n(-c4ccc(O)cc4C)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is RYXPSGXVPQZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6/c1-11-7-13(27)3-5-19(11)25-21(29)15-9-17-18(10-16(15)22(25)30)24(32)26(23(17)31)20-6-4-14(28)8-12(20)2/h3-10,27-28H,1-2H3.
What are the key properties of 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 428.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-hydroxy-2-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 1123732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).