2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]-9H-fluoren-9-yl}phenoxymethyl)oxirane

• ChemBase ID: 180134
• Molecular Formular: C31H26O4
• Molecular Mass: 462.53574
• Monoisotopic Mass: 462.18310931
• SMILES: C1(c2c(c3c1cccc3)cccc2)(c1ccc(OCC2OC2)cc1)c1ccc(OCC2OC2)cc1
• Canonical SMILES: c1ccc2c(c1)C(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)c1c2cccc1
• InChI: InChI=1S/C31H26O4/c1-3-7-29-27(5-1)28-6-2-4-8-30(28)31(29,21-9-13-23(14-10-21)32-17-25-19-34-25)22-11-15-24(16-12-22)33-18-26-20-35-26/h1-16,25-26H,17-20H2
• InChIKey: LCSAOPVSVLGDLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]-9H-fluoren-9-yl}phenoxymethyl)oxirane
• IUPAC Traditional name: 2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl}phenoxymethyl)oxirane
• Synonyms: 9,9-Bis[4-(glycidyloxy)phenyl]fluorene

Database IDs

• CAS Number: 47758-37-2
• PubChem SID: 164236044
• PubChem CID: 93249

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.960884
• LogD (pH = 7.4): 5.960884
• Log P: 5.960884
• Molar Refractivity: 134.5029 cm^3
• Polarizability: 53.856594 Å^3
• Polar Surface Area: 43.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false