2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C32H24N2O7 — CID 23939601

IUPAC2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(Cc4ccc(OC)cc4)C5=O)cc3C2=O)cc1
InChIInChI=1S/C32H24N2O7/c1-39-21-7-3-19(4-8-21)17-33-29(35)25-13-11-23(15-27(25)31(33)37)41-24-12-14-26-28(16-24)32(38)34(30(26)36)18-20-5-9-22(40-2)10-6-20/h3-16H,17-18H2,1-2H3
InChIKeyZVHQRTDNRPETMX-UHFFFAOYSA-N
MW548.55 g/mol
LogP5.09
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 23939601) has the molecular formula C32H24N2O7 and a molecular weight of 548.55 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID23939601
Molecular FormulaC32H24N2O7
Molecular Weight548.55 g/mol
Exact Mass548.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(Cc4ccc(OC)cc4)C5=O)cc3C2=O)cc1
InChIInChI=1S/C32H24N2O7/c1-39-21-7-3-19(4-8-21)17-33-29(35)25-13-11-23(15-27(25)31(33)37)41-24-12-14-26-28(16-24)32(38)34(30(26)36)18-20-5-9-22(40-2)10-6-20/h3-16H,17-18H2,1-2H3
InChIKeyZVHQRTDNRPETMX-UHFFFAOYSA-N
XLogP5.09
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
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-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 23939601) is 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is COc1ccc(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(Cc4ccc(OC)cc4)C5=O)cc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is ZVHQRTDNRPETMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O7/c1-39-21-7-3-19(4-8-21)17-33-29(35)25-13-11-23(15-27(25)31(33)37)41-24-12-14-26-28(16-24)32(38)34(30(26)36)18-20-5-9-22(40-2)10-6-20/h3-16H,17-18H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 548.55 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 23939601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).