Home > Compound List > Compound details
2519-10-0 molecular structure
click picture or here to close

(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

ChemBase ID: 146460
Molecular Formular: C35H26
Molecular Mass: 446.58094
Monoisotopic Mass: 446.20345083
SMILES and InChIs

SMILES:
c1ccc(cc1)C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C35H26/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25,31H
InChIKey:
YGLVWOUNCXBPJF-UHFFFAOYSA-N

Cite this record

CBID:146460 http://www.chembase.cn/molecule-146460.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
IUPAC Traditional name
(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
Synonyms
Pentaphenylcyclopentadiene
1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene
五苯基环戊二烯
1,2,3,4,5-五苯基-1,3-环戊二烯
CAS Number
2519-10-0
MDL Number
MFCD09909572
MFCD00012263
PubChem SID
24858418
162240656
PubChem CID
635023

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 635023 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.584609  H Acceptors
H Donor LogD (pH = 5.5) 8.983381 
LogD (pH = 7.4) 8.980594  Log P 8.9834175 
Molar Refractivity 147.3898 cm3 Polarizability 57.324833 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
254-256 °C(lit.) expand Show data source
254-257°C expand Show data source
MSDS Link
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% expand Show data source
Empirical Formula (Hill Notation)
C35H26 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 305286 external link
Packaging
1 g in glass bottle

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