Home > Compound List > Compound details
1662-01-7 molecular structure
click picture or here to close

4,7-diphenyl-1,10-phenanthroline

ChemBase ID: 105419
Molecular Formular: C24H16N2
Molecular Mass: 332.39724
Monoisotopic Mass: 332.13134852
SMILES and InChIs

SMILES:
c1ccc(cc1)c1c2ccc3c(ccnc3c2ncc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1
InChI:
InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
InChIKey:
DHDHJYNTEFLIHY-UHFFFAOYSA-N

Cite this record

CBID:105419 http://www.chembase.cn/molecule-105419.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,7-diphenyl-1,10-phenanthroline
IUPAC Traditional name
4,7-diphenyl-1,10-phenanthroline
Synonyms
BPhen
Bathophenanthroline
4,7-Diphenyl-1,10-phenanthroline
BATHOPHENANTHROLINE
4,7-Diphenyl-1,10-phenanthroline
4,7-二苯基-1,10-菲罗啉
红菲咯啉
CAS Number
1662-01-7
EC Number
216-767-1
MDL Number
MFCD00004976
Beilstein Number
261048
PubChem SID
24848094
24847379
162092504
PubChem CID
72812

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.500036  LogD (pH = 7.4) 5.581845 
Log P 5.583006  Molar Refractivity 104.173 cm3
Polarizability 46.07427 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
218-220 °C(lit.) expand Show data source
218-222 °C expand Show data source
218-222°C expand Show data source
Orbital energy
HOMO 6.4 eV expand Show data source
LUMO 3 eV expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
SF8427000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
97% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Quality
for spectrophotometric det. of Fe in serum expand Show data source
OLED Device Performance
ITO/MoO3/NPD/Alq3/BPhen/LiF/Al4• Color: green• Max. Luminance: 20000 Cd/m2• Max. EQE: 1.2 %• Turn-On Voltage: 2.8 V expand Show data source
ITO/NPD/Alq3/BPhen/LiF/Al4• Color: green• Max. Luminance: 19000 Cd/m2• Max. EQE: 1.16 %• Turn-On Voltage: 6.6 V expand Show data source
ITO/PEDOT:PSS/NPD/Alq3/BPhen/LiF/Al4• Color: green• Max. Luminance: 14000 Cd/m2• Max. EQE: 1.44 %• Turn-On Voltage: 5 V expand Show data source
ITO/PEDOT:PSS/PVK:Ir(mppy)2 (6wt%)/BPhen/LiF:Al5• Color: green• Max. Luminance: 10000 Cd/m2• Max. EQE: 1.1 %• Turn-On Voltage: 3.8 V expand Show data source
ITO/TCTA/Ir(ppy)3/BPhen/LiF/Al6• Color: green• Max. Luminance: 300000 Cd/m2• Max. EQE: 19 %• Turn-On Voltage: 2.6 V expand Show data source
PEDOT:PSS/MoO3/NPD/Alq3/BPhen/LiF/Al4• Color: green• Max. Luminance: 15000 Cd/m2• Max. EQE: 1.71 %• Turn-On Voltage: 2.3 V expand Show data source
Empirical Formula (Hill Notation)
C24H16N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02190157 external link
Crystalline
Used for colorimetric iron determinations.
MP Biomedicals - 05212086 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 133159 external link
Application
Used as a bidentate ligand1,2 and for the determination of iron.3
Packaging
1 g in glass bottle
500 mg in glass bottle
Sigma Aldrich - 11880 external link
Other Notes
For the determination of iron in serum, in urine;1 for the determination of iron(II) in presence of iron(III);2,3 for the determination of total iron.4

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for iron.
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle