5-ethoxy-2,2,3-triphenylpyrrole

C24H21NO — CID 102457373

IUPAC5-ethoxy-2,2,3-triphenylpyrrole
SMILESCCOC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)24(25-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKeyHAOLYWCVVSFRRX-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.46
Rot. Bonds4

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

5-ethoxy-2,2,3-triphenylpyrrole (PubChem CID 102457373) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-ethoxy-2,2,3-triphenylpyrrole.

Molecular Properties

Compound Name5-ethoxy-2,2,3-triphenylpyrrole
PubChem CID102457373
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name5-ethoxy-2,2,3-triphenylpyrrole
SMILESCCOC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)24(25-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKeyHAOLYWCVVSFRRX-UHFFFAOYSA-N
XLogP5.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11076735
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4-Ethoxy-5-methyl-2,2-diphenylpyrrole
CID 11065745
(6E)-4-ethoxy-6-(4-ethoxy-2,2-diphenylquinolin-6-ylidene)-2,2-diphenylquinoline
CID 10722916
3-ethoxy-4,5-dimethyl-1-phenyl-1H-2-benzazepine
CID 21595837
2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
CID 23431987
(5r)-2-Methyl-4,4,5-triphenyloxazoline
CID 59058540
ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
CID 91200994
ethane;(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
CID 91366712
4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole
CID 102579765
2,4,4-triphenyl-5H-1,3-oxazole
CID 154237439
5-Methyl-2,2,4-triphenylpyrrole
CID 11012318

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,2,3-triphenylpyrrole?
The IUPAC name of 5-ethoxy-2,2,3-triphenylpyrrole (CID 102457373) is 5-ethoxy-2,2,3-triphenylpyrrole.
What is the SMILES notation for 5-ethoxy-2,2,3-triphenylpyrrole?
The canonical SMILES for 5-ethoxy-2,2,3-triphenylpyrrole is CCOC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1.
What is the InChIKey of 5-ethoxy-2,2,3-triphenylpyrrole?
The InChIKey is HAOLYWCVVSFRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-26-23-18-22(19-12-6-3-7-13-19)24(25-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3.
What are the key properties of 5-ethoxy-2,2,3-triphenylpyrrole?
5-ethoxy-2,2,3-triphenylpyrrole has a molecular weight of 339.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,2,3-triphenylpyrrole is sourced from PubChem (CID 102457373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).