1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione

C32H33NO8 — CID 70832445

IUPAC1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)c1ccc(C(OCCOCCOCCOCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NO8/c34-17-18-38-19-20-39-21-22-40-23-24-41-32(26-7-3-1-4-8-26,27-9-5-2-6-10-27)28-13-11-25(12-14-28)31(37)33-29(35)15-16-30(33)36/h1-16,34H,17-24H2
InChIKeyHIUVSEHBNBXDQM-UHFFFAOYSA-N
MW559.62 g/mol
LogP3.10
Rot. Bonds16

About 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione

1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione (PubChem CID 70832445) has the molecular formula C32H33NO8 and a molecular weight of 559.62 g/mol. Its IUPAC name is 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione
PubChem CID70832445
Molecular FormulaC32H33NO8
Molecular Weight559.62 g/mol
Exact Mass559.22
IUPAC Name1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)c1ccc(C(OCCOCCOCCOCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33NO8/c34-17-18-38-19-20-39-21-22-40-23-24-41-32(26-7-3-1-4-8-26,27-9-5-2-6-10-27)28-13-11-25(12-14-28)31(37)33-29(35)15-16-30(33)36/h1-16,34H,17-24H2
InChIKeyHIUVSEHBNBXDQM-UHFFFAOYSA-N
XLogP3.10
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione (CID 70832445) is 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(=O)c1ccc(C(OCCOCCOCCOCCO)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione?
The InChIKey is HIUVSEHBNBXDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO8/c34-17-18-38-19-20-39-21-22-40-23-24-41-32(26-7-3-1-4-8-26,27-9-5-2-6-10-27)28-13-11-25(12-14-28)31(37)33-29(35)15-16-30(33)36/h1-16,34H,17-24H2.
What are the key properties of 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione?
1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione has a molecular weight of 559.62 g/mol, XLogP of 3.10, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoyl]pyrrole-2,5-dione is sourced from PubChem (CID 70832445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).