5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione

C40H24N2O6S — CID 3108912

IUPAC5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)cc2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C40H24N2O6S/c43-37-31-21-19-27(23-33(31)39(45)41(37)35-17-9-7-15-29(35)25-11-3-1-4-12-25)49(47,48)28-20-22-32-34(24-28)40(46)42(38(32)44)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H
InChIKeyLYXWXIBOIWYVDG-UHFFFAOYSA-N
MW660.71 g/mol
LogP7.45
Rot. Bonds6

About 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione

5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 3108912) has the molecular formula C40H24N2O6S and a molecular weight of 660.71 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID3108912
Molecular FormulaC40H24N2O6S
Molecular Weight660.71 g/mol
Exact Mass660.14
IUPAC Name5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)cc2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C40H24N2O6S/c43-37-31-21-19-27(23-33(31)39(45)41(37)35-17-9-7-15-29(35)25-11-3-1-4-12-25)49(47,48)28-20-22-32-34(24-28)40(46)42(38(32)44)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H
InChIKeyLYXWXIBOIWYVDG-UHFFFAOYSA-N
XLogP7.45
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.71
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione (CID 3108912) is 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione is O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)cc2C(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is LYXWXIBOIWYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O6S/c43-37-31-21-19-27(23-33(31)39(45)41(37)35-17-9-7-15-29(35)25-11-3-1-4-12-25)49(47,48)28-20-22-32-34(24-28)40(46)42(38(32)44)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione?
5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 660.71 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3108912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).