4-(Di-p-tolylamino)-4'-[(di-p-tolylamino) styryl]stilbene

Details:

1.Introduction of 596103-58-1

4-(Di-p-tolylamino)-4'-[(di-p-tolylamino) styryl]stilbene has the CAS registry number of 596103-58-1. It has synonyms of
4-(di-p-tolylamino)-4'-[(di-p-tolylamino) styryl]stilbene;DPAVB , 4-(Di-p-tolylaMino)-4'-[(di-p-tolylaMino)styryl]stilbe;4-(di-p-tolylaMino)-4'-[(di-p-tolylaMino)styryl]stilbene/ DPAVB. And it is usually used as one kind of OLED materials. Our product has appearance of yellow crystal powder and purity of 98.0%.

2.Properties of 596103-58-1

ACD/LogP: 15.994
# of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 15.99
ACD/LogD (pH 7.4): 15.99
ACD/BCF (pH 5.5): 1000000.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/KOC (pH 7.4): 10000000.00
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
Polar Surface Area: 6.48?²
Index of Refraction: 1.702
Molar Refractivity: 226.476 cm³
Molar Volume: 584.434 cm³
Polarizability: 89.782 10-24cm³
Surface Tension: 52.1199989318848 dyne/cm
Density: 1.151 g/cm³
Flash Point: 355.058 °C
Enthalpy of Vaporization: 119.431 kJ/mol
Boiling Point: 821.74 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 596103-58-1

(1)InChI: InChI=1S/C50H44N2/c1-37-10-26-45(27-11-37)51(46-28-12-38(2)13-29-46)47-34-22-42(23-35-47)19-18-41-20-24-44(25-21-41)50(36-43-8-6-5-7-9-43)52(48-30-14-39(3)15-31-48)49-32-16-40(4)17-33-49/h5-36H,1-4H3/b19-18+,50-36+
(2)InChIKey: SKRQCHDXFSWTHN-GXCOJGOBSA-N
(3)Canonical SMILES : Cc1ccc(cc1)N(c2ccc(cc2)C)c3ccc(cc3)/C=C/c4ccc(cc4)/C(=C\c5ccccc5)/N(c6ccc(cc6)C)c7ccc(cc7)C