Home > Compound List > Compound details
605-03-8 molecular structure
click picture or here to close

4-phenylquinoline

ChemBase ID: 289736
Molecular Formular: C15H11N
Molecular Mass: 205.25454
Monoisotopic Mass: 205.08914936
SMILES and InChIs

SMILES:
c1(c2ccccc2)ccnc2ccccc12
Canonical SMILES:
c1ccc(cc1)c1ccnc2c1cccc2
InChI:
InChI=1S/C15H11N/c1-2-6-12(7-3-1)13-10-11-16-15-9-5-4-8-14(13)15/h1-11H
InChIKey:
LOCUXGFHUYBUHF-UHFFFAOYSA-N

Cite this record

CBID:289736 http://www.chembase.cn/molecule-289736.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenylquinoline
IUPAC Traditional name
4-phenylquinoline
Synonyms
4-Phenylquinoline
CAS Number
605-03-8
PubChem SID
180675267
PubChem CID
521929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225482 Please log in.
Data Source Data ID
PubChem 521929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7320375  LogD (pH = 7.4) 3.777511 
Log P 3.7781258  Molar Refractivity 65.1155 cm3
Polarizability 28.22806 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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