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1033035-83-4

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Basic Information
CAS No.: 1033035-83-4
Name: N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-9,9-spirobifluorene-2,7-diamine
Article Data: 2
Molecular Structure:
Molecular Structure of 1033035-83-4 (N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-9,9-spirobifluorene-2,7-diamine)
Formula: C51H38N2
Molecular Weight: 678.86
Synonyms: LumTec E105;N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-9,9-spirobifluorene-2,7-diamine;
Density: 1.299 g/cm3
Melting Point: 211.0 to 215.0 °C
PSA: 6.48000
LogP: 13.58650
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Specification

The N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-9,9-spirobifluorene-2,7-diamine, also known as C51H38N2, is an organic compound with the formula C51H38N2. It belongs to the product category of Electronic Chemicals. With the CAS registry number 1033035-83-4, its systematic name is N2',N7'-bis(m-tolyl)-N2',N7'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine.

Physical properties of N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-9,9-spirobifluorene-2,7-diamine: (1)ACD/LogP: 15.53; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.525; (4)ACD/LogD (pH 7.4): 15.525; (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: 6; (11)Index of Refraction: 1.77; (12)Molar Refractivity: 217.261 cm3; (13)Molar Volume: 522.694 cm3; (14)Surface Tension: 70.825 dyne/cm; (15)Density: 1.299 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1)N(c2ccccc2)c3ccc-4c(c3)C5(c6ccccc6-c7c5cccc7)c8c4ccc(c8)N(c9ccccc9)c1cccc(c1)C
(2)InChI: InChI=1/C51H38N2/c1-35-15-13-21-39(31-35)52(37-17-5-3-6-18-37)41-27-29-45-46-30-28-42(53(38-19-7-4-8-20-38)40-22-14-16-36(2)32-40)34-50(46)51(49(45)33-41)47-25-11-9-23-43(47)44-24-10-12-26-48(44)51/h3-34H,1-2H3
(3)InChIKey: QZTQQBIGSZWRGI-UHFFFAOYAW