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

C31H20N2O7 — CID 983544

IUPAC2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OC)C4=O)cc2C1=O
InChIInChI=1S/C31H20N2O7/c1-39-25-9-5-3-7-23(25)32-28(35)19-13-11-17(15-21(19)30(32)37)27(34)18-12-14-20-22(16-18)31(38)33(29(20)36)24-8-4-6-10-26(24)40-2/h3-16H,1-2H3
InChIKeyMADDMXXADWRECX-UHFFFAOYSA-N
MW532.51 g/mol
LogP4.54
Rot. Bonds6

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

2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 983544) has the molecular formula C31H20N2O7 and a molecular weight of 532.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID983544
Molecular FormulaC31H20N2O7
Molecular Weight532.51 g/mol
Exact Mass532.13
IUPAC Name2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OC)C4=O)cc2C1=O
InChIInChI=1S/C31H20N2O7/c1-39-25-9-5-3-7-23(25)32-28(35)19-13-11-17(15-21(19)30(32)37)27(34)18-12-14-20-22(16-18)31(38)33(29(20)36)24-8-4-6-10-26(24)40-2/h3-16H,1-2H3
InChIKeyMADDMXXADWRECX-UHFFFAOYSA-N
XLogP4.54
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.51
LogP ≤ 54.54
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-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 983544) is 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is COc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OC)C4=O)cc2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is MADDMXXADWRECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O7/c1-39-25-9-5-3-7-23(25)32-28(35)19-13-11-17(15-21(19)30(32)37)27(34)18-12-14-20-22(16-18)31(38)33(29(20)36)24-8-4-6-10-26(24)40-2/h3-16H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 532.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).