2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C32H14N4O9 — CID 2832570

IUPAC2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C32H14N4O9/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)45-16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H
InChIKeyNXFIYYSTCYHBFR-UHFFFAOYSA-N
MW598.48 g/mol
LogP3.09
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 2832570) has the molecular formula C32H14N4O9 and a molecular weight of 598.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID2832570
Molecular FormulaC32H14N4O9
Molecular Weight598.48 g/mol
Exact Mass598.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O
InChIInChI=1S/C32H14N4O9/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)45-16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H
InChIKeyNXFIYYSTCYHBFR-UHFFFAOYSA-N
XLogP3.09
TPSA158.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5,5'-((1-Methylethylidene)bis(4,1-phenyleneoxy))bis(2-methyl-1H-isoindole-1,3(2H)-dione)
CID 108586
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
1H-Isoindole-1,3(2H)-dione, 5,5'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis[2-methyl-
CID 6454553
2-Ethyl-5-(2-ethyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
CID 1300815
N,N'-[oxybis(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]diacetamide
CID 2878684
1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-
CID 113161
4,4'-Oxydiphthalimide
CID 3089909
2-Cyclopentyl-5-(2-cyclopentyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
CID 17296591
5-[2-Fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
CID 18961412
[5-[1,3-Dioxo-2-(2,3,4,5,6-pentafluorobenzoyl)oxyisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] 2,3,4,5,6-pentafluorobenzoate
CID 57867052
[5-[2-[3,5-Bis(trifluoromethyl)benzoyl]oxy-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 57867083
5-[1,3-Dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxy-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2941577

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 2832570) is 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is NXFIYYSTCYHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14N4O9/c37-25-17-5-1-2-6-18(17)26(38)33(25)35-29(41)21-11-9-15(13-23(21)31(35)43)45-16-10-12-22-24(14-16)32(44)36(30(22)42)34-27(39)19-7-3-4-8-20(19)28(34)40/h1-14H.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 598.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 2832570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).