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906674-39-3

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Basic Information
CAS No.: 906674-39-3
Name: (E)-4-[Bis(4-methylphenyl)amino]benzaldehyde 2,2-diphenylhydrazone
Molecular Structure:
Molecular Structure of 906674-39-3 ((E)-4-[Bis(4-methylphenyl)amino]benzaldehyde 2,2-diphenylhydrazone)
Formula: C33H29N3
Molecular Weight: 467.60
Synonyms: O124;Q183;
Density: 1.05 g/cm3
Boiling Point: 631.2 °C at 760 mmHg
Flash Point: 335.6 °C
PSA: 18.84000
LogP: 8.94540
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Specification

The (E)-4-[Bis(4-methylphenyl)amino]benzaldehyde 2,2-diphenylhydrazone with its cas register number is 906674-39-3. The Systematic name about this chemical is 4-[(E)-(diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)aniline.

Physical properties about (E)-4-[Bis(4-methylphenyl)amino]benzaldehyde 2,2-diphenylhydrazone are: (1)ACD/LogP: 9.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.72; (4)ACD/LogD (pH 7.4): 9.72; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4592748.5; (8)ACD/KOC (pH 7.4): 4593101.5; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 18.84Å2; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 152.48 cm3; (14)Molar Volume: 445.1 cm3; (15)Polarizability: 60.45x10-24cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Enthalpy of Vaporization: 93.35 kJ/mol; (18)Vapour Pressure: 7.64E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)/C=N/N(c4ccccc4)c5ccccc5
(2)InChI: InChI=1/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+
(3)InChIKey: WCVWLLLVYFDRTB-YQCHCMBFBT
(4)Std. InChI: InChI=1S/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+
(5)Std. InChIKey: WCVWLLLVYFDRTB-YQCHCMBFSA-N