5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione

C41H24N2O7 — CID 3108910

IUPAC5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O
InChIInChI=1S/C41H24N2O7/c44-37(25-11-21-33-35(23-25)40(47)42(38(33)45)27-13-17-31(18-14-27)49-29-7-3-1-4-8-29)26-12-22-34-36(24-26)41(48)43(39(34)46)28-15-19-32(20-16-28)50-30-9-5-2-6-10-30/h1-24H
InChIKeyXWNOHJHZYXMVDA-UHFFFAOYSA-N
MW656.65 g/mol
LogP8.10
Rot. Bonds8

About 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione

5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione (PubChem CID 3108910) has the molecular formula C41H24N2O7 and a molecular weight of 656.65 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione
PubChem CID3108910
Molecular FormulaC41H24N2O7
Molecular Weight656.65 g/mol
Exact Mass656.16
IUPAC Name5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O
InChIInChI=1S/C41H24N2O7/c44-37(25-11-21-33-35(23-25)40(47)42(38(33)45)27-13-17-31(18-14-27)49-29-7-3-1-4-8-29)26-12-22-34-36(24-26)41(48)43(39(34)46)28-15-19-32(20-16-28)50-30-9-5-2-6-10-30/h1-24H
InChIKeyXWNOHJHZYXMVDA-UHFFFAOYSA-N
XLogP8.10
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.65
LogP ≤ 58.10
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 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione (CID 3108910) is 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O.
What is the InChIKey of 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione?
The InChIKey is XWNOHJHZYXMVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O7/c44-37(25-11-21-33-35(23-25)40(47)42(38(33)45)27-13-17-31(18-14-27)49-29-7-3-1-4-8-29)26-12-22-34-36(24-26)41(48)43(39(34)46)28-15-19-32(20-16-28)50-30-9-5-2-6-10-30/h1-24H.
What are the key properties of 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione?
5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione has a molecular weight of 656.65 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3108910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).