3-ethoxy-2,2,5-triphenylpyrrole

C24H21NO — CID 102457372

IUPAC3-ethoxy-2,2,5-triphenylpyrrole
SMILESCCOC1=CC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)25-24(23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKeyKPWOAUIMQKQXJJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.35
Rot. Bonds5

About 3-ethoxy-2,2,5-triphenylpyrrole

3-ethoxy-2,2,5-triphenylpyrrole (PubChem CID 102457372) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-ethoxy-2,2,5-triphenylpyrrole.

Molecular Properties

Compound Name3-ethoxy-2,2,5-triphenylpyrrole
PubChem CID102457372
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name3-ethoxy-2,2,5-triphenylpyrrole
SMILESCCOC1=CC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)25-24(23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKeyKPWOAUIMQKQXJJ-UHFFFAOYSA-N
XLogP5.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2,5-triphenylpyrrole?
The IUPAC name of 3-ethoxy-2,2,5-triphenylpyrrole (CID 102457372) is 3-ethoxy-2,2,5-triphenylpyrrole.
What is the SMILES notation for 3-ethoxy-2,2,5-triphenylpyrrole?
The canonical SMILES for 3-ethoxy-2,2,5-triphenylpyrrole is CCOC1=CC(c2ccccc2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethoxy-2,2,5-triphenylpyrrole?
The InChIKey is KPWOAUIMQKQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)25-24(23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3.
What are the key properties of 3-ethoxy-2,2,5-triphenylpyrrole?
3-ethoxy-2,2,5-triphenylpyrrole has a molecular weight of 339.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2,5-triphenylpyrrole is sourced from PubChem (CID 102457372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).