2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

C41H28N4O10 — CID 58779659

IUPAC2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1
InChIInChI=1S/C41H28N4O10/c1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h3-20H,21-22H2,1-2H3
InChIKeyBJBUZFYOQBTTDT-UHFFFAOYSA-N
MW736.69 g/mol
LogP4.55
Rot. Bonds10

About 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 58779659) has the molecular formula C41H28N4O10 and a molecular weight of 736.69 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
PubChem CID58779659
Molecular FormulaC41H28N4O10
Molecular Weight736.69 g/mol
Exact Mass736.18
IUPAC Name2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1
InChIInChI=1S/C41H28N4O10/c1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h3-20H,21-22H2,1-2H3
InChIKeyBJBUZFYOQBTTDT-UHFFFAOYSA-N
XLogP4.55
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.69
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 58779659) is 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.
What is the InChIKey of 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The InChIKey is BJBUZFYOQBTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O10/c1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49/h3-20H,21-22H2,1-2H3.
What are the key properties of 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 736.69 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 58779659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).