The N,N'-Bis-(1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine, also known as alpha-NPB, is an organic compound with the formula C44H32N2. It belongs to the product categories of Electronic; Pharmacetical; Light yellow powder. With the CAS registry number 123847-85-8, its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine. What's more, the substance should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of N,N'-Bis-(1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine: (1)ACD/LogP: 13.48; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.48; (4)ACD/LogD (pH 7.4): 13.48; (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)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.732; (12)Molar Refractivity: 194.21 cm3; (13)Molar Volume: 485.2 cm3; (14)Surface Tension: 56.4 dyne/cm; (15)Density: 1.213 g/cm3; (16)Flash Point: 340.8 °C; (17)Enthalpy of Vaporization: 112.45 kJ/mol; (18)Boiling Point: 772.5 °C at 760 mmHg; (19)Vapour Pressure: 8.62E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
(2)InChI: InChI=1S/C44H32N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H
(3)InChIKey: IBHBKWKFFTZAHE-UHFFFAOYSA-N
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