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| CAS No.: | 202748-68-3 |
|---|---|
| Name: | BDPAS |
| Molecular Structure: | |
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| Formula: | C38H30N2 |
| Molecular Weight: | 514.66 |
| Synonyms: | trans-4,4'-Bis(diphenylamino)stilbene;BDPAS; |
| Density: | 1.183g/cm3 |
| Boiling Point: | 679.692 °C at 760 mmHg |
| Flash Point: | 303.229 °C |
| PSA: | 6.48000 |
| LogP: | 10.79660 |
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Specification
The (E)-4,4'-Bis(diphenylamino)stilbene, with CAS registry number 202748-68-3, has the systematic name of 4,4'-(E)-ethene-1,2-diylbis(N,N-diphenylaniline). Besides this, it is also called trans-4,4'-Bis(diphenylamino)stilbene. And the chemical formula of this chemical isC38H30N2.
Physical properties of (E)-4,4'-Bis(diphenylamino)stilbene: (1)ACD/LogP: 10.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 171.334 cm3; (15)Molar Volume: 434.961 cm3; (16)Polarizability: 67.922×10-24cm3; (17)Surface Tension: 54.872 dyne/cm; (18)Enthalpy of Vaporization: 99.746 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1N(c2ccccc2)c3ccc(cc3)/C=C/c4ccc(cc4)N(c5ccccc5)c6ccccc6
(2)InChI: InChI=1/C38H30N2/c1-5-13-33(14-6-1)39(34-15-7-2-8-16-34)37-27-23-31(24-28-37)21-22-32-25-29-38(30-26-32)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-30H/b22-21+
(3)InChIKey: FAJMLEGDOMOWPK-QURGRASLBK
(4)Std. InChI: InChI=1S/C38H30N2/c1-5-13-33(14-6-1)39(34-15-7-2-8-16-34)37-27-23-31(24-28-37)21-22-32-25-29-38(30-26-32)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-30H/b22-21+
(5)Std. InChIKey: FAJMLEGDOMOWPK-QURGRASLSA-N