2-(4-phenylphenyl)-5-[5-(4-phenylphenyl)thiophen-2-yl]thiophene

• ChemBase ID: 141522
• Molecular Formular: C32H22S2
• Molecular Mass: 470.64708
• Monoisotopic Mass: 470.1162927
• SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C32H22S2/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-31(33-29)32-22-20-30(34-32)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
• InChIKey: SJNXLFCTPWBYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)-5-[5-(4-phenylphenyl)thiophen-2-yl]thiophene
• IUPAC Traditional name: 2-(4-phenylphenyl)-5-[5-(4-phenylphenyl)thiophen-2-yl]thiophene
• Synonyms: 5,5′-[Di(1,1′-biphenyl)-4-yl]-2,2′-bithiophene; 5,5′-Di(4-biphenylyl)-2,2′-bithiophene; 5,5′-[二(1,1′-联苯)-4-基]-2,2′-联噻吩; 5,5′-二(4-联苯基)-2,2′-联噻吩

Database IDs

• CAS Number: 175850-28-9
• MDL Number: MFCD11045413
• PubChem SID: 162235756
• PubChem CID: 10648060

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.757081
• LogD (pH = 7.4): 9.757081
• Log P: 9.757081
• Molar Refractivity: 145.087 cm^3
• Polarizability: 63.03169 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 368-374 °C
• Semiconductor Properties: P-type (mobility=0.04 cm2/V·s)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C32H22S2

DETAILS

Sigma Aldrich - 695947

Application
p-type organic semiconductor
Packaging
1 g in glass bottle