Home > Compound List > Compound details
74833-81-1 molecular structure
click picture or here to close

2-[(pyren-2-ylmethoxy)methyl]pyrene

ChemBase ID: 162407
Molecular Formular: C34H22O
Molecular Mass: 446.53788
Monoisotopic Mass: 446.16706532
SMILES and InChIs

SMILES:
O(Cc1cc2c3c(c1)ccc1c3c(cc2)ccc1)Cc1cc2c3c(c1)ccc1c3c(cc2)ccc1
Canonical SMILES:
O(Cc1cc2ccc3c4c2c(c1)ccc4ccc3)Cc1cc2ccc3c4c2c(c1)ccc4ccc3
InChI:
InChI=1S/C34H22O/c1-3-23-7-11-27-15-21(16-28-12-8-24(4-1)31(23)33(27)28)19-35-20-22-17-29-13-9-25-5-2-6-26-10-14-30(18-22)34(29)32(25)26/h1-18H,19-20H2
InChIKey:
RKYRTDVMXKQOJG-UHFFFAOYSA-N

Cite this record

CBID:162407 http://www.chembase.cn/molecule-162407.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(pyren-2-ylmethoxy)methyl]pyrene
IUPAC Traditional name
2-[(pyren-2-ylmethoxy)methyl]pyrene
Synonyms
1,1'-[Oxybis(methylene)]bis-pyrene
DIPYME
Bis(1-pyrenylmethyl) Ether
CAS Number
74833-81-1
PubChem SID
162256542
PubChem CID
46783673

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B525000 external link Add to cart
PubChem 46783673 external link
Data Source Data ID Price
TRC
B525000 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783673 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.194859  LogD (pH = 7.4) 8.194859 
Log P 8.194859  Molar Refractivity 143.5669 cm3
Polarizability 63.43145 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
169-170°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B525000 external link
A hydrophobic fluoresent probe that shows intramolecular excimer fluorescence (intensity IE) in competition with fluorescence from locally excited pyrene chromophore (monomer emission, intensity IM). Has been used to investigate the fluidity and micropol

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Winnik, F.M., et al.: J. Phys. Chem., 95, 2583 (1991)
  • • Nivaggioli, T., et al.: Langmuir, 11, 119 (1995)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle