5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione

C32H18N4O6 — CID 1040701

IUPAC5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccn4)C5=O)c3)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C32H18N4O6/c37-29-23-12-10-21(17-25(23)31(39)35(29)27-8-1-3-14-33-27)41-19-6-5-7-20(16-19)42-22-11-13-24-26(18-22)32(40)36(30(24)38)28-9-2-4-15-34-28/h1-18H
InChIKeyAHUYGIMTSCCUHN-UHFFFAOYSA-N
MW554.52 g/mol
LogP5.66
Rot. Bonds6

About 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione

5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione (PubChem CID 1040701) has the molecular formula C32H18N4O6 and a molecular weight of 554.52 g/mol. Its IUPAC name is 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione
PubChem CID1040701
Molecular FormulaC32H18N4O6
Molecular Weight554.52 g/mol
Exact Mass554.12
IUPAC Name5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccn4)C5=O)c3)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C32H18N4O6/c37-29-23-12-10-21(17-25(23)31(39)35(29)27-8-1-3-14-33-27)41-19-6-5-7-20(16-19)42-22-11-13-24-26(18-22)32(40)36(30(24)38)28-9-2-4-15-34-28/h1-18H
InChIKeyAHUYGIMTSCCUHN-UHFFFAOYSA-N
XLogP5.66
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
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 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione?
The IUPAC name of 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione (CID 1040701) is 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione is O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccn4)C5=O)c3)cc2C(=O)N1c1ccccn1.
What is the InChIKey of 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione?
The InChIKey is AHUYGIMTSCCUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O6/c37-29-23-12-10-21(17-25(23)31(39)35(29)27-8-1-3-14-33-27)41-19-6-5-7-20(16-19)42-22-11-13-24-26(18-22)32(40)36(30(24)38)28-9-2-4-15-34-28/h1-18H.
What are the key properties of 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione?
5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione has a molecular weight of 554.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxyphenoxy]-2-pyridin-2-ylisoindole-1,3-dione is sourced from PubChem (CID 1040701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).