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CAS No.: | 169967-26-4 |
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Name: | 4',4''''-OXYBIS-2,2':6',2''-TERPYRIDINE |
Molecular Structure: | |
Formula: | C30H20N6O |
Molecular Weight: | 480.5194 |
Synonyms: | 4',4''-Oxybis(2,2':6',2''-terpyridin); |
Density: | 1.263 g/cm3 |
Boiling Point: | 698.571 °C at 760 mmHg |
Flash Point: | 236.238 °C |
PSA: | 86.57000 |
LogP: | 6.51690 |
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The 2,2':6',2''-Terpyridine,4',4''''-oxybis- (9CI), with the CAS registry number 169967-26-4, is also known as 4',4''-Oxybis(2,2':6',2''-terpyridin). This chemical's molecular formula is C30H20N6O and molecular weight is 480.5194. Its systematic name is called 4',4''-oxybis(2,2':6',2''-terpyridine).
Physical properties of 2,2':6',2''-Terpyridine,4',4''''-oxybis- (9CI): (1)ACD/LogP: 3.59; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.655; (5)Molar Refractivity: 139.612 cm3; (6)Molar Volume: 380.501 cm3; (7)Surface Tension: 59.485 dyne/cm; (8)Density: 1.263 g/cm3; (9)Flash Point: 236.238 °C; (10)Enthalpy of Vaporization: 98.62 kJ/mol; (11)Boiling Point: 698.571 °C at 760 mmHg; (12)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)Oc4cc(nc(c4)c5ccccn5)c6ccccn6
(2)InChI: InChI=1/C30H20N6O/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)37-22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H
(3)InChIKey: XDIZQHUPJMQOKY-UHFFFAOYAZ