4,4'-Bis(triphenylsilyl)-1,1'-biphenyl (18826-13-6)

The 4,4'-Bis(triphenylsilyl)-1,1'-biphenyl, with the CAS registry number 18826-13-6, is also known as NSC168712. This chemical's molecular formula is C₄₈H₃₈Si₂ and formula weight is 670.99. What's more, its IUPAC name and systematic name are the same which is called triphenyl-[4-(4-triphenylsilylphenyl)phenyl]silane.

Physical properties of 4,4'-Bis(triphenylsilyl)-1,1'-biphenyl: (1)ACD/LogP: 15.89; (2)# of Rule of 5 Violations: 2; (3)#Freely Rotating Bonds: 9; (4)Index of Refraction: 1.683; (5)Molar Refractivity: 217.23 cm³; (6)Molar Volume: 572.7 cm³; (7)Surface Tension: 51.8 dyne/cm; (8)Density: 1.17 g/cm³; (9)Melting Point: 292-293 °C; (10)Flash Point: 352.4 °C; (11)Enthalpy of Vaporization: 100.54 kJ/mol; (12)Boiling Point: 713.1 °C at 760 mmHg; (13)Vapour Pressure: 2.33E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
(2)InChI: InChI=1S/C48H38Si2/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-38H
(3)InChIKey: LNQMQGXHWZCRFZ-UHFFFAOYSA-N