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

• ChemBase ID: 162407
• Molecular Formular: C34H22O
• Molecular Mass: 446.53788
• Monoisotopic Mass: 446.16706532
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 74833-81-1
• PubChem SID: 162256542
• PubChem CID: 46783673

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.194859
• LogD (pH = 7.4): 8.194859
• Log P: 8.194859
• Molar Refractivity: 143.5669 cm^3
• Polarizability: 63.43145 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Ethanol; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 169-170°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - B525000

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

• Winnik, F.M., et al.: J. Phys. Chem., 95, 2583 (1991)
• Nivaggioli, T., et al.: Langmuir, 11, 119 (1995)