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

C44H36N2O6 — CID 18995304

IUPAC1-[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
SMILESCC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc(N4C(=O)C=CC4=O)cc3)cc2)cc1
InChIInChI=1S/C44H36N2O6/c1-43(2,31-9-17-35(18-10-31)51-37-21-13-33(14-22-37)45-39(47)25-26-40(45)48)29-5-7-30(8-6-29)44(3,4)32-11-19-36(20-12-32)52-38-23-15-34(16-24-38)46-41(49)27-28-42(46)50/h5-28H,1-4H3
InChIKeyXGCQISUCYGFJFQ-UHFFFAOYSA-N
MW688.78 g/mol
LogP8.78
Rot. Bonds10

About 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

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 (PubChem CID 18995304) has the molecular formula C44H36N2O6 and a molecular weight of 688.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID18995304
Molecular FormulaC44H36N2O6
Molecular Weight688.78 g/mol
Exact Mass688.26
IUPAC Name1-[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
SMILESCC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc(N4C(=O)C=CC4=O)cc3)cc2)cc1
InChIInChI=1S/C44H36N2O6/c1-43(2,31-9-17-35(18-10-31)51-37-21-13-33(14-22-37)45-39(47)25-26-40(45)48)29-5-7-30(8-6-29)44(3,4)32-11-19-36(20-12-32)52-38-23-15-34(16-24-38)46-41(49)27-28-42(46)50/h5-28H,1-4H3
InChIKeyXGCQISUCYGFJFQ-UHFFFAOYSA-N
XLogP8.78
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.78
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc(N4C(=O)C=CC4=O)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is XGCQISUCYGFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O6/c1-43(2,31-9-17-35(18-10-31)51-37-21-13-33(14-22-37)45-39(47)25-26-40(45)48)29-5-7-30(8-6-29)44(3,4)32-11-19-36(20-12-32)52-38-23-15-34(16-24-38)46-41(49)27-28-42(46)50/h5-28H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 688.78 g/mol, XLogP of 8.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18995304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).