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

C29H16N2O7 — CID 1126512

IUPAC2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C29H16N2O7/c32-23-7-3-1-5-21(23)30-26(35)17-11-9-15(13-19(17)28(30)37)25(34)16-10-12-18-20(14-16)29(38)31(27(18)36)22-6-2-4-8-24(22)33/h1-14,32-33H
InChIKeyPBHXDSQOYKBFAU-UHFFFAOYSA-N
MW504.45 g/mol
LogP3.93
Rot. Bonds4

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

2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1126512) has the molecular formula C29H16N2O7 and a molecular weight of 504.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1126512
Molecular FormulaC29H16N2O7
Molecular Weight504.45 g/mol
Exact Mass504.10
IUPAC Name2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C29H16N2O7/c32-23-7-3-1-5-21(23)30-26(35)17-11-9-15(13-19(17)28(30)37)25(34)16-10-12-18-20(14-16)29(38)31(27(18)36)22-6-2-4-8-24(22)33/h1-14,32-33H
InChIKeyPBHXDSQOYKBFAU-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-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1126512) is 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is PBHXDSQOYKBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N2O7/c32-23-7-3-1-5-21(23)30-26(35)17-11-9-15(13-19(17)28(30)37)25(34)16-10-12-18-20(14-16)29(38)31(27(18)36)22-6-2-4-8-24(22)33/h1-14,32-33H.
What are the key properties of 2-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2-hydroxyphenyl)-5-[2-(2-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-(2-hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1126512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).