2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C29H16N2O7 — CID 1149109

IUPAC2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O
InChIInChI=1S/C29H16N2O7/c32-19-5-1-3-17(13-19)30-26(35)21-9-7-15(11-23(21)28(30)37)25(34)16-8-10-22-24(12-16)29(38)31(27(22)36)18-4-2-6-20(33)14-18/h1-14,32-33H
InChIKeyXBQNMAKBEXRDHJ-UHFFFAOYSA-N
MW504.45 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1149109) has the molecular formula C29H16N2O7 and a molecular weight of 504.45 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1149109
Molecular FormulaC29H16N2O7
Molecular Weight504.45 g/mol
Exact Mass504.10
IUPAC Name2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O
InChIInChI=1S/C29H16N2O7/c32-19-5-1-3-17(13-19)30-26(35)21-9-7-15(11-23(21)28(30)37)25(34)16-8-10-22-24(12-16)29(38)31(27(22)36)18-4-2-6-20(33)14-18/h1-14,32-33H
InChIKeyXBQNMAKBEXRDHJ-UHFFFAOYSA-N
XLogP3.93
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
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-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1149109) is 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O.
What is the InChIKey of 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is XBQNMAKBEXRDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N2O7/c32-19-5-1-3-17(13-19)30-26(35)21-9-7-15(11-23(21)28(30)37)25(34)16-8-10-22-24(12-16)29(38)31(27(22)36)18-4-2-6-20(33)14-18/h1-14,32-33H.
What are the key properties of 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 504.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-5-[2-(3-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1149109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).