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846563-66-4

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Basic Information
CAS No.: 846563-66-4
Name: 4,4'-Bis[(1E)-2-[4-(hexyloxy)phenyl]ethenyl]-2,2'-bipyridine
Molecular Structure:
Molecular Structure of 846563-66-4 (4,4'-Bis[(1E)-2-[4-(hexyloxy)phenyl]ethenyl]-2,2'-bipyridine)
Formula: 38H44N2O2
Molecular Weight: 560.77
Synonyms: 4,4-Bis[(1E)-2-[4-(hexyloxy)phenyl]ethenyl]-2,2-bipyridine;4.4-Bis (2-[4-(hexyloxy)phenyl]ethenyl)-2,2-bipyridine
Density: 1.077 g/cm3
Boiling Point: 723.3 °C at 760 mmHg
Flash Point: 243.1 °C
PSA: 44.24000
LogP: 10.40260
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Chemistry

Systematic Name: 4,4'-bis{(E)-2-[4-(Hexyloxy)phenyl]ethenyl}-2,2'-bipyridine
CAS NO: 846563-66-4
Molecular Formula: C38H44N2O2
Molecular Weight: 560.77
Molecular Structure:
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 17
Polar Surface Area: 44.24 Å2
Index of Refraction: 1.614
Molar Refractivity: 181.5 cm3
Molar Volume: 520.6 cm3
Surface Tension: 45.1 dyne/cm
Density: 1.077 g/cm3
Flash Point: 243.1 °C
Enthalpy of Vaporization: 101.89 kJ/mol
Boiling Point: 723.3 °C at 760 mmHg
Vapour Pressure: 6.29E-20 mmHg at 25°C 
SMILES: CCCCCCOc1ccc(cc1)/C=C/c2cc(ncc2)c3cc(ccn3)/C=C/c4ccc(OCCCCCC)cc4
InChI: InChI=1/C38H44N2O2/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2/h11-26,29-30H,3-10,27-28H2,1-2H3/b13-11+,14-12+
InChIKey: NPYGILQVQLESKX-PHEQNACWBJ
Std. InChI: InChI=1S/C38H44N2O2/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2/h11-26,29-30H,3-10,27-28H2,1-2H3/b13-11+,14-12+
Std. InChIKey: NPYGILQVQLESKX-PHEQNACWSA-N

Uses

 4,4'-bis{(E)-2-[4-(Hexyloxy)phenyl]ethenyl}-2,2'-bipyridine (CAS NO: 846563-66-4) is used as intermediates of organic synthesis and pharmaceutical.