1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione

C40H32N2O6 — CID 2852422

IUPAC1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C40H32N2O6/c1-40(27-5-3-2-4-6-27,28-7-15-32(16-8-28)47-34-19-11-30(12-20-34)41-36(43)23-24-37(41)44)29-9-17-33(18-10-29)48-35-21-13-31(14-22-35)42-38(45)25-26-39(42)46/h2-22H,23-26H2,1H3
InChIKeyVZGYFMUFNYZYFD-UHFFFAOYSA-N
MW636.70 g/mol
LogP7.93
Rot. Bonds9

About 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione

1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione (PubChem CID 2852422) has the molecular formula C40H32N2O6 and a molecular weight of 636.70 g/mol. Its IUPAC name is 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
PubChem CID2852422
Molecular FormulaC40H32N2O6
Molecular Weight636.70 g/mol
Exact Mass636.23
IUPAC Name1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C40H32N2O6/c1-40(27-5-3-2-4-6-27,28-7-15-32(16-8-28)47-34-19-11-30(12-20-34)41-36(43)23-24-37(41)44)29-9-17-33(18-10-29)48-35-21-13-31(14-22-35)42-38(45)25-26-39(42)46/h2-22H,23-26H2,1H3
InChIKeyVZGYFMUFNYZYFD-UHFFFAOYSA-N
XLogP7.93
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.70
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
CID 3644728
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
(1R,2R,6S,7R,8R,9S)-8,9-dibromo-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124714168
1-[4-[4-[2-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 18995304
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
CID 51064300
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-(4-phenoxyphenyl)thiourea
CID 43076285
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
4-[4-(4-tert-butylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 2933539
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]pyrrolidine-2,5-dione
CID 139125075

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione (CID 2852422) is 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione is CC(c1ccccc1)(c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione?
The InChIKey is VZGYFMUFNYZYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O6/c1-40(27-5-3-2-4-6-27,28-7-15-32(16-8-28)47-34-19-11-30(12-20-34)41-36(43)23-24-37(41)44)29-9-17-33(18-10-29)48-35-21-13-31(14-22-35)42-38(45)25-26-39(42)46/h2-22H,23-26H2,1H3.
What are the key properties of 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione?
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione has a molecular weight of 636.70 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).