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349545-75-1

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Basic Information
CAS No.: 349545-75-1
Name: 4,4'-Bis[2-(3-methoxyphenyl)ethenyl]-2,2'-bipyridine
Molecular Structure:
Molecular Structure of 349545-75-1 (4,4'-Bis[2-(3-methoxyphenyl)ethenyl]-2,2'-bipyridine)
Formula: C28H24N2O2
Molecular Weight: 420.50
Synonyms: 2,2'-Bipyridine, 4,4'-bis[2-(3-methoxyphenyl)ethenyl]-;4,4'-Bis[2-(3-methoxyphenyl)vinyl]-2,2'-bipyridine;
Density: 1.182 g/cm3
Boiling Point: 627.4 °C at 760 mmHg
Flash Point: 215.9 °C
PSA: 44.24000
LogP: 6.50160
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    4,4'-Bis[2-(3-methoxyphenyl)ethenyl]-2,2'-bipyridine

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    Molecular Formula C28H24N2O2 Molecular Weight 420.50 CAS Registry Number 349545-75-1 Name4,4'-Bis[2-(3-methoxyphenyl)ethen…

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Specification

The systematic name of 4,4'-Bis[2-(3-methoxyphenyl)ethenyl]-2,2'-bipyridine is 2,2'-bipyridine, 4,4'-bis[2-(3-methoxyphenyl)ethenyl]-. With the CAS registry number 349545-75-1, it is also named as 4,4'-Bis[2-(3-methoxyphenyl)vinyl]-2,2'-bipyridine. In addition, its molecular formula is C28H24N2O2 and molecular weight is 420.50.

The other characteristics of 4,4'-Bis[2-(3-methoxyphenyl)ethenyl]-2,2'-bipyridine can be summarized as: (1)ACD/LogP: 6.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.46; (5)ACD/BCF (pH 5.5): 41721.32; (6)ACD/BCF (pH 7.4): 48096.41; (7)ACD/KOC (pH 5.5): 67770.82; (8)ACD/KOC (pH 7.4): 78126.34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 135.17 cm3; (15)Molar Volume: 355.5 cm3; (16)Polarizability: 53.58×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 215.9 °C; (20)Enthalpy of Vaporization: 89.46 kJ/mol; (21)Boiling Point: 627.4 °C at 760 mmHg; (22)Vapour Pressure: 5.64E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COc1cccc(c1)C=Cc2ccnc(c2)c3cc(ccn3)C=Cc4cccc(c4)OC
(2)InChI: InChI=1/C28H24N2O2/c1-31-25-7-3-5-21(17-25)9-11-23-13-15-29-27(19-23)28-20-24(14-16-30-28)12-10-22-6-4-8-26(18-22)32-2/h3-20H,1-2H3
(3)InChIKey: SBWREZXAQSZOHI-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C28H24N2O2/c1-31-25-7-3-5-21(17-25)9-11-23-13-15-29-27(19-23)28-20-24(14-16-30-28)12-10-22-6-4-8-26(18-22)32-2/h3-20H,1-2H3
(5)Std. InChIKey: SBWREZXAQSZOHI-UHFFFAOYSA-N