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N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide
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Name

N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide

 EINECS N/A
CAS No. 83054-80-2 Density 1.242 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point >300 °C(lit.)
Formula C52H50N2O4 Boiling Point N/A
Molecular Weight 766.98 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83054-80-2 (N N'-BIS(2 5-DI-T-BU-PHENYL)-3 4 9 10-) Hazard Symbols IrritantXi
Synonyms

Anthra(2,1,9-def:6,5,10-def)diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2,5-bis(1,1-dimethylethyl)phenyl)-;Anthra[2,1,9-def:6,5,10-d'e'f ']diisoquinoline-1,- 3,8,10(2H,9H)-tetrone,2,9-bis[2,5-bis(1,1- dimethylethyl)phenyl]-;N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide;

Article Data 7

N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide Specification

The N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide with the CAS number 83054-80-2 is also called Anthra(2,1,9-def:6,5,10-def)diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2,5-bis(1,1-dimethylethyl)phenyl)-. The systematic name is 2,9-bis(2,5-di-tert-butylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone. Its molecular formula is C52H50N2O4. This chemical belongs to the following product categories: (1)BOrganic Conductors and Photovoltaics: OFET and OPV Materials; (2)n-Type Oligomers; (3)Organic Semiconductors; (4)Stains and Dyes; (5)Stains&Dyes, A to.

The properties of the N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide are: (1)ACD/LogP: 12.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.12; (4)ACD/LogD (pH 7.4): 12.13; (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: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.76Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 235.52 cm3; (15)Molar Volume: 617.5 cm3; (16)Polarizability: 93.36×10-24cm3; (17)Surface Tension: 56.2 dyne/cm.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C9c4c3c(ccc2c1ccc7c5c1c(c(c23)cc4)ccc5C(=O)N(c6cc(ccc6C(C)(C)C)C(C)(C)C)C7=O)C(=O)N9c8cc(ccc8C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C52H50N2O4/c1-49(2,3)27-13-23-37(51(7,8)9)39(25-27)53-45(55)33-19-15-29-31-17-21-35-44-36(22-18-32(42(31)44)30-16-20-34(46(53)56)43(33)41(29)30)48(58)54(47(35)57)40-26-28(50(4,5)6)14-24-38(40)52(10,11)12/h13-26H,1-12H3
(3)InChIKey: BIYPCKKQAHLMHG-UHFFFAOYAG

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