Home > Compound List > Compound details
6485-97-8 molecular structure
click picture or here to close

2-phenyl-9,10-dihydroanthracene-9,10-dione

ChemBase ID: 296450
Molecular Formular: C20H12O2
Molecular Mass: 284.30808
Monoisotopic Mass: 284.08372962
SMILES and InChIs

SMILES:
c1ccc(cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
Canonical SMILES:
O=C1c2cc(ccc2C(=O)c2c1cccc2)c1ccccc1
InChI:
InChI=1S/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
InChIKey:
NTZCFGZBDDCNHI-UHFFFAOYSA-N

Cite this record

CBID:296450 http://www.chembase.cn/molecule-296450.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenyl-9,10-dihydroanthracene-9,10-dione
IUPAC Traditional name
2-phenylanthracene-9,10-dione
Synonyms
2-Phenylanthraquinone
2-phenylanthraquinone
2-苯基蒽醌
CAS Number
6485-97-8
MDL Number
MFCD00559262
PubChem SID
180681981
PubChem CID
313995

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 313995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5659313  LogD (pH = 7.4) 4.5659313 
Log P 4.5659313  Molar Refractivity 86.2872 cm3
Polarizability 34.35334 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
160-163°C expand Show data source
TSCA Listed
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