Home > Compound List > Compound details
73799-68-5 molecular structure
click picture or here to close

ethyl 4,5-diphenyl-1H-pyrrole-3-carboxylate

ChemBase ID: 812061
Molecular Formular: C19H17NO2
Molecular Mass: 291.34378
Monoisotopic Mass: 291.12592879
SMILES and InChIs

SMILES:
[nH]1cc(c(c1c1ccccc1)c1ccccc1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1c[nH]c(c1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H17NO2/c1-2-22-19(21)16-13-20-18(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13,20H,2H2,1H3
InChIKey:
HTSROGFJSMXEFJ-UHFFFAOYSA-N

Cite this record

CBID:812061 http://www.chembase.cn/molecule-812061.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4,5-diphenyl-1H-pyrrole-3-carboxylate
IUPAC Traditional name
ethyl 4,5-diphenyl-1H-pyrrole-3-carboxylate
Synonyms
ETHYL 4,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE
CAS Number
73799-68-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31780 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31780 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.342772  H Acceptors
H Donor LogD (pH = 5.5) 4.6278667 
LogD (pH = 7.4) 4.627862  Log P 4.6278667 
Molar Refractivity 87.7406 cm3 Polarizability 36.333553 Å3
Polar Surface Area 42.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle