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217-65-2 molecular structure
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1-azatriphenylene

ChemBase ID: 158755
Molecular Formular: C17H11N
Molecular Mass: 229.27594
Monoisotopic Mass: 229.08914936
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1ccccc1c1c2cccn1
Canonical SMILES:
c1ccc2c(c1)c1ccccc1c1c2cccn1
InChI:
InChI=1S/C17H11N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17/h1-11H
InChIKey:
RIYPENPUNLHEBK-UHFFFAOYSA-N

Cite this record

CBID:158755 http://www.chembase.cn/molecule-158755.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azatriphenylene
IUPAC Traditional name
1-azatriphenylene
Synonyms
1-Aza-triphenylene
Dibenzo[f,h]quinoline
CAS Number
217-65-2
MDL Number
MFCD03701617
PubChem SID
24880590
162252891
PubChem CID
3593281

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
570753 external link Add to cart Please log in.
Data Source Data ID
PubChem 3593281 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1075606  LogD (pH = 7.4) 4.109825 
Log P 4.109854  Molar Refractivity 72.8797 cm3
Polarizability 32.459507 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
184.0-185.9 °C(lit.) expand Show data source
Absorption Wavelength
λmax 257 nm in chloroform expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C17H11N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 570753 external link
Application
Used in the preparation of near infrared luminescent metal (Yb3+, Nd3+, Er3+) azatriphenylene complexes.
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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