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CAS No.: | 3073-05-0 |
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Name: | P-QUINQUEPHENYL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C30H22 |
Molecular Weight: | 382.505 |
Synonyms: | p-Quinquephenyl(6CI,7CI,8CI);NSC 90723;p-Pentaphenyl;p-Phenylene pentamer; |
Density: | 1.091g/cm3 |
Melting Point: | 386.45°C |
Boiling Point: | 618.1 °C at 760 mmHg |
Flash Point: | 326.8 °C |
Safety: | 22-24/25 |
PSA: | 0.00000 |
LogP: | 8.35460 |
The p-Pentaphenyl, belongs to the following product categories: (1)Electroluminescence; (2)Functional Materials. It has the systematic name of 1,1':4',1'':4'',1''':4''',1''''-quinquephenyl. And its IUPAC name is 1,4-bis(4-phenylphenyl)benzene. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 8.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.95; (4)ACD/LogD (pH 7.4): 8.95; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1756510.88; (8)ACD/KOC (pH 7.4): 1756510.88; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 124.62 cm3; (15)Molar Volume: 350.5 cm3; (16)Polarizability: 49.4×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Enthalpy of Vaporization: 88.29 kJ/mol; (19)Vapour Pressure: 1.53E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2ccccc2)c3ccc(cc3)c5ccc(c4ccccc4)cc5
(2)InChI: InChI=1/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
(3)InChIKey: OMCUOJTVNIHQTI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
(5)Std. InChIKey: OMCUOJTVNIHQTI-UHFFFAOYSA-N