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1262783-41-4

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Basic Information
CAS No.: 1262783-41-4
Name: 1,1'-(2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(3,6-dimethyl-9H-carbazole)
Molecular Structure:
Molecular Structure of 1262783-41-4 (1,1'-(2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(3,6-dimethyl-9H-carbazole))
Formula: C42H36N2
Molecular Weight: 568.75
Synonyms: 4,4'-Bis(3,6-dimethylcarbazolyl)-2,2'-dimethylbiphenyl;
Density: 1.2±0.1 g/cm3
Boiling Point: 803.6±60.0 °C at 760 mmHg
Flash Point: 361.3±24.2 °C
PSA: 31.58000
LogP: 11.80700
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    1,1'-(2,2'-Dimethyl-4,4'-biphenyldiyl)bis(3,6-dimethyl-9H-carbazole)

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  • 1,1'-(2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(3,6-dimethyl-9H-carbazole)

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    1,1'-(2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(3,6-dimethyl-9H-carbazole)

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Specification

The 9H-Carbazole, 9,9'-(2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3,6-dimethyl]-, with the CAS registry number 1262783-41-4, is also known as 4,4'-Bis(3,6-dimethylcarbazolyl)-2,2'-dimethylbiphenyl. This chemical's molecular formula is C42H36N2 and molecular weight is 568.75. What's more, its systematic name is called 1,1'-(2,2'-Dimethyl-4,4'-biphenyldiyl)bis(3,6-dimethyl-9H-carbazole).

Physical properties about 9H-Carbazole, 9,9'-(2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3,6-dimethyl]- are: (1)ACD/LogP: 13.05±0.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.05; (4)ACD/LogD (pH 7.4): 13.05; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.58 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 189.2±0.3 cm3; (15)Molar Volume: 476.0±3.0 cm3; (16)Polarizability: 75.0±0.5×10-24cm3; (17)Surface Tension: 53.5±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 361.3±24.2 °C; (20)Enthalpy of Vaporization: 112.8±3.0 kJ/mol; (21)Boiling Point: 803.6±60.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.7 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc2c(c1)c3cc(cc(c3[nH]2)c4ccc(c(c4)C)c5ccc(cc5C)c6cc(cc7c6[nH]c8c7cc(cc8)C)C)C
(2) InChI: InChI=1S/C42H36N2/c1-23-7-13-39-35(15-23)37-19-25(3)17-33(41(37)43-39)29-9-11-31(27(5)21-29)32-12-10-30(22-28(32)6)34-18-26(4)20-38-36-16-24(2)8-14-40(36)44-42(34)38/h7-22,43-44H,1-6H3
(3) InChIKey: MQMDNUMAQBAGSR-UHFFFAOYSA-N