2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C28H16N2O7 — CID 1381041

IUPAC2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3O)C4=O)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C28H16N2O7/c31-23-7-3-1-5-21(23)29-25(33)17-11-9-15(13-19(17)27(29)35)37-16-10-12-18-20(14-16)28(36)30(26(18)34)22-6-2-4-8-24(22)32/h1-14,31-32H
InChIKeySZORRHGDLFDXQY-UHFFFAOYSA-N
MW492.44 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 1381041) has the molecular formula C28H16N2O7 and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID1381041
Molecular FormulaC28H16N2O7
Molecular Weight492.44 g/mol
Exact Mass492.10
IUPAC Name2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3O)C4=O)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C28H16N2O7/c31-23-7-3-1-5-21(23)29-25(33)17-11-9-15(13-19(17)27(29)35)37-16-10-12-18-20(14-16)28(36)30(26(18)34)22-6-2-4-8-24(22)32/h1-14,31-32H
InChIKeySZORRHGDLFDXQY-UHFFFAOYSA-N
XLogP4.49
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 1381041) is 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3O)C4=O)cc2C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is SZORRHGDLFDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O7/c31-23-7-3-1-5-21(23)29-25(33)17-11-9-15(13-19(17)27(29)35)37-16-10-12-18-20(14-16)28(36)30(26(18)34)22-6-2-4-8-24(22)32/h1-14,31-32H.
What are the key properties of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 492.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 1381041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).