2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene

• ChemBase ID: 136605
• Molecular Formular: C34H22S2
• Molecular Mass: 494.66848
• Monoisotopic Mass: 494.1162927
• SMILES: c1ccc2c(c1)Cc1c2ccc(c1)c1ccc(s1)c1ccc(s1)c1ccc2c(c1)Cc1c2cccc1
• Canonical SMILES: c1ccc2c(c1)c1ccc(cc1C2)c1ccc(s1)c1ccc(s1)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2
• InChIKey: BYGHZDSINXXOSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
• IUPAC Traditional name: 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
• Synonyms: 5,5′-Di(9H-fluoren-2-yl)-2,2′-bithiophene; FTTF

Database IDs

• CAS Number: 369599-41-7
• PubChem SID: 162230875
• PubChem CID: 21028430

CALCULATED PROPERTIES

• Acid pKa: 12.263359
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.994177
• LogD (pH = 7.4): 9.994171
• Log P: 9.994177
• Molar Refractivity: 152.4454 cm^3
• Polarizability: 65.02152 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: sublimed

Product Information

• Loss on Drying: 0.5 wt. %, 300 °C
• Empirical Formula (Hill Notation): C34H22S2

DETAILS

Sigma Aldrich - L754056

Other Notes
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