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374592-88-8

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Basic Information
CAS No.: 374592-88-8
Name: N4,N4'-Di-1-naphthalenyl-N4,N4'-di-2-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine
Article Data: 2
Molecular Structure:
Molecular Structure of 374592-88-8 (N4,N4'-Di-1-naphthalenyl-N4,N4'-di-2-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine)
Formula: C52H36N2
Molecular Weight: 688.86
Synonyms: 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-;[1,1'-biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetra-2-naphthalenyl-;
Density: 1.245 g/cm3
Melting Point: 134 °C
PSA: 6.48000
LogP: 14.90600
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Specification

The CAS register number of N4,N4'-Di-1-naphthalenyl-N4,N4'-di-2-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine is 374592-88-8. It also can be called as [1,1'-biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetra-2-naphthalenyl- and the systematic name about this chemical is N,N,N',N'-tetra(naphthalen-2-yl)biphenyl-4,4'-diamine. The molecular formula about this chemical is C52H36N2 and molecular weight is 688.86.

Physical properties about N4,N4'-Di-1-naphthalenyl-N4,N4'-di-2-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine are: (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)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 6.48Å2; (12)Index of Refraction: 1.77; (13)Molar Refractivity: 229.902 cm3; (14)Molar Volume: 553.502 cm3; (15)Polarizability: 91.14x10-24cm3; (16)Surface Tension: 59.588 dyne/cm.

You can still convert the following datas into 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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: QKCGXXHCELUCKW-UHFFFAOYSA-N