2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione

C34H20N2O8 — CID 1149106

IUPAC2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccc(O)cc4)C5=O)c3)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C34H20N2O8/c37-21-8-4-19(5-9-21)35-31(39)27-14-12-25(17-29(27)33(35)41)43-23-2-1-3-24(16-23)44-26-13-15-28-30(18-26)34(42)36(32(28)40)20-6-10-22(38)11-7-20/h1-18,37-38H
InChIKeyHSDZKNKYYOCURE-UHFFFAOYSA-N
MW584.54 g/mol
LogP6.28
Rot. Bonds6

About 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione

2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (PubChem CID 1149106) has the molecular formula C34H20N2O8 and a molecular weight of 584.54 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
PubChem CID1149106
Molecular FormulaC34H20N2O8
Molecular Weight584.54 g/mol
Exact Mass584.12
IUPAC Name2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccc(O)cc4)C5=O)c3)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C34H20N2O8/c37-21-8-4-19(5-9-21)35-31(39)27-14-12-25(17-29(27)33(35)41)43-23-2-1-3-24(16-23)44-26-13-15-28-30(18-26)34(42)36(32(28)40)20-6-10-22(38)11-7-20/h1-18,37-38H
InChIKeyHSDZKNKYYOCURE-UHFFFAOYSA-N
XLogP6.28
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.54
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (CID 1149106) is 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccc(O)cc4)C5=O)c3)cc2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The InChIKey is HSDZKNKYYOCURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O8/c37-21-8-4-19(5-9-21)35-31(39)27-14-12-25(17-29(27)33(35)41)43-23-2-1-3-24(16-23)44-26-13-15-28-30(18-26)34(42)36(32(28)40)20-6-10-22(38)11-7-20/h1-18,37-38H.
What are the key properties of 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione has a molecular weight of 584.54 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-[3-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is sourced from PubChem (CID 1149106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).