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122738-21-0

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CAS No.: 122738-21-0
Name: N,N,N',N'-TETRAKIS(4-METHOXYPHENYL)-1,1'-BIPHENYL-4,4'-DIAMINE
Article Data: 8
Molecular Structure:
Molecular Structure of 122738-21-0 (N,N,N',N'-TETRAKIS(4-METHOXYPHENYL)-1,1'-BIPHENYL-4,4'-DIAMINE)
Formula: C40H36N2O4
Molecular Weight: 608.737
Synonyms: N4,N4,N4,N4-Tetrakis(4-methoxyphenyl)-[1,1-biphenyl]-4,4-diamine;N,N,N,N-TETRAKIS(4;MeO-TPD,N4,N4,N4,N4-Tetrakis(4-Methoxyphenyl)-[1,1-biphenyl]-;N,N,Nμ,Nμ-Tetrakis(4-Methoxyphenyl)benzidine
Density: 1.186g/cm3
Melting Point: 190.0 to 194.0 °C
Boiling Point: 752.5 °C at 760 mmHg
Flash Point: 188.6 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 43.40000
LogP: 10.32760
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Specification

The N4,N4,N4',N4'-Tetrakis(4-methoxyphenyl)-[1,1'-biphenyl]-4,4'-diamine, with CAS registry number 122738-21-0, has the systematic name of N,N,N',N'-tetrakis(4-methoxyphenyl)biphenyl-4,4'-diamine. And the chemical formula of this chemical is C40H36N2O4.

Physical properties of N4,N4,N4',N4'-Tetrakis(4-methoxyphenyl)-[1,1'-biphenyl]-4,4'-diamine: (1)ACD/LogP: 7.39; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.39; (4)ACD/LogD (pH 7.4): 7.39; (5)ACD/BCF (pH 5.5): 242843.17; (6)ACD/BCF (pH 7.4): 242843.17; (7)ACD/KOC (pH 5.5): 249110.13; (8)ACD/KOC (pH 7.4): 249110.13; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 43.4 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 185.24 cm3; (15)Molar Volume: 513 cm3; (16)Polarizability: 73.43×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Enthalpy of Vaporization: 109.66 kJ/mol; (19)Vapour Pressure: 1.57E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)N(c2ccc(cc2)c3ccc(cc3)N(c4ccc(OC)cc4)c5ccc(OC)cc5)c6ccc(OC)cc6
(2)InChI: InChI=1/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3
(3)InChIKey: WPUSEOSICYGUEW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3
(5)Std. InChIKey: WPUSEOSICYGUEW-UHFFFAOYSA-N