1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione

C36H28N2O5 — CID 163499593

IUPAC1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESCC(C)(c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C36H28N2O5/c1-36(2,26-7-3-24(4-8-26)23-25-5-11-28(12-6-25)37-32(39)19-20-33(37)40)27-9-15-30(16-10-27)43-31-17-13-29(14-18-31)38-34(41)21-22-35(38)42/h3-22H,23H2,1-2H3
InChIKeyCTOUHXOSMFXIIN-UHFFFAOYSA-N
MW568.63 g/mol
LogP6.25
Rot. Bonds8

About 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione

1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione (PubChem CID 163499593) has the molecular formula C36H28N2O5 and a molecular weight of 568.63 g/mol. Its IUPAC name is 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
PubChem CID163499593
Molecular FormulaC36H28N2O5
Molecular Weight568.63 g/mol
Exact Mass568.20
IUPAC Name1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
SMILESCC(C)(c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C36H28N2O5/c1-36(2,26-7-3-24(4-8-26)23-25-5-11-28(12-6-25)37-32(39)19-20-33(37)40)27-9-15-30(16-10-27)43-31-17-13-29(14-18-31)38-34(41)21-22-35(38)42/h3-22H,23H2,1-2H3
InChIKeyCTOUHXOSMFXIIN-UHFFFAOYSA-N
XLogP6.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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-[4-[2-[4-[4-(2,5-dioxocyclopent-3-en-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 177130091
4-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[2-[4-[4-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 59372685
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 139363924
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[4-[4-[2-[4-[4-(2,5-dihydroxy-3-propylsulfanylpyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 90703100
4-[4-[4-[2-[4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;bis(1-ethenyl-4-ethylbenzene)
CID 163553434
1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;3-[3-(2,5-dioxopyrrol-3-yl)phenyl]pyrrole-2,5-dione
CID 161283291
bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
CID 158451070
2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
CID 3644728
1-[4-[2-bromo-4-[2-[3-bromo-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione;1-[4-[2-chloro-4-[2-[3-chloro-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 159908946

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione (CID 163499593) is 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione is CC(C)(c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
The InChIKey is CTOUHXOSMFXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O5/c1-36(2,26-7-3-24(4-8-26)23-25-5-11-28(12-6-25)37-32(39)19-20-33(37)40)27-9-15-30(16-10-27)43-31-17-13-29(14-18-31)38-34(41)21-22-35(38)42/h3-22H,23H2,1-2H3.
What are the key properties of 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione?
1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione has a molecular weight of 568.63 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 163499593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).