Name: 1 3 5-TRIS((3-METHYLPHENYL)PHENYLAMINO)&
SKU: 138143-23-4

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Basic Information

Molecular Structure:
CAS No.:	138143-23-4
Name:	1 3 5-TRIS((3-METHYLPHENYL)PHENYLAMINO)&
Article Data:	4

Formula:	C₄₅H₃₉N₃
Molecular Weight:	621.825
Synonyms:	N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenyl-1, 3, 5-benzenetriamine;
Density:	1.169 g/cm³
Melting Point:	183-185 °C
Boiling Point:	753.1 °C at 760 mmHg
Flash Point:	412.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.72000
LogP:	13.02120

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Specification

The 1, 3, 5-Tris[(3-methylphenyl)phenylamino]benzene, with the CAS registry number 138143-23-4, is also known as N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenyl-1, 3, 5-benzenetriamine. It belongs to the product categories of Hole Transporting Materials; OLED and PLED Materials; Organic Electronics and Photonics. This chemical's molecular formula is C₄₅H₃₉N₃ and molecular weight is 621.824. What's more, its systematic name is N, N', N''-Tris(3-methylphenyl)-N, N', N''-triphenylbenzene-1, 3, 5-triamine.

Physical properties about 1, 3, 5-Tris[(3-methylphenyl)phenylamino]benzene are: (1)ACD/LogP: 14.46; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.46; (4)ACD/LogD (pH 7.4): 14.46; (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: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 202.25 cm³; (14)Molar Volume: 531.7 cm³; (15)Polarizability: 80.18×10^-24cm³; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.169 g/cm³; (18)Flash Point: 412.6 °C; (19)Enthalpy of Vaporization: 109.74 kJ/mol; (20)Boiling Point: 753.1 °C at 760 mmHg; (21)Vapour Pressure: 1.45E-22 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1)N(c2cc(cc(c2)N(c3ccccc3)c4cc(C)ccc4)N(c5cccc(C)c5)c6ccccc6)c7ccccc7
(2) InChI: InChI=1/C45H39N3/c1-34-16-13-25-40(28-34)46(37-19-7-4-8-20-37)43-31-44(47(38-21-9-5-10-22-38)41-26-14-17-35(2)29-41)33-45(32-43)48(39-23-11-6-12-24-39)42-27-15-18-36(3)30-42/h4-33H,1-3H3
(3) InChIKey: HKDGIZZHRDSLHF-UHFFFAOYAT