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[1,1'-Biphenyl]-4,4'-diamine,N4,N4,N4',N4'-tetra-2-naphthalenyl- (141752-82-1)

Identification
Name:[1,1'-Biphenyl]-4,4'-diamine,N4,N4,N4',N4'-tetra-2-naphthalenyl-
Synonyms:[1,1'-Biphenyl]-4,4'-diamine,N,N,N',N'-tetra-2-naphthalenyl- (9CI);N,N,N',N'-tetra(naphthalen-2-yl)biphenyl-4,4'-diamine;[1,1'-biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetra-2-naphthalenyl-;
CAS:141752-82-1
Molecular Formula: C52H36N2
Molecular Weight: 688.87
InChI: InChI=1/C52H36N2/c1-5-13-43-33-49(29-21-37(43)9-1)53(50-30-22-38-10-2-6-14-44(38)34-50)47-25-17-41(18-26-47)42-19-27-48(28-20-42)54(51-31-23-39-11-3-7-15-45(39)35-51)52-32-24-40-12-4-8-16-46(40)36-52/h1-36H
Molecular Structure: (C52H36N2) [1,1'-Biphenyl]-4,4'-diamine,N,N,N',N'-tetra-2-naphthalenyl- (9CI);N,N,N',N'-tetra(naphthalen-2-yl)b...
Properties
Density:1.245g/cm3
Refractive index:1.77
Specification:

The N,N,N',N'-Tetra(2-naphthalenyl)(1,1'-biphenyl)-4,4'-diamine, with the CAS registry number 1141752-82-1, has the systematic name of N,N,N',N'-tetra(naphthalen-2-yl)biphenyl-4,4'-diamine. And the molecular formula of the chemical is C52H36N2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 15.62; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17; (4)ACD/LogD (pH 7.4): 17; (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: 7; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.77; (14)Molar Refractivity: 229.902 cm3; (15)Molar Volume: 553.502 cm3; (16)Polarizability: 91.14×10-24cm3; (17)Surface Tension: 59.588 dyne/cm; (18)Density: 1.245 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc%10ccccc%10cc1N(c2cc3ccccc3cc2)c4ccc(cc4)c5ccc(cc5)N(c6cc7ccccc7cc6)c8cc9ccccc9cc8
(2)InChI: InChI=1/C52H36N2/c1-5-13-43-33-49(29-21-37(43)9-1)53(50-30-22-38-10-2-6-14-44(38)34-50)47-25-17-41(18-26-47)42-19-27-48(28-20-42)54(51-31-23-39-11-3-7-15-45(39)35-51)52-32-24-40-12-4-8-16-46(40)36-52/h1-36H
(3)InChIKey: QKCGXXHCELUCKW-UHFFFAOYAT

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