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CAS No.: | 58447-78-2 |
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Name: | 1-[(Z)-pyren-1-yl-NNO-azoxy]pyrene |
Molecular Structure: | |
Formula: | C32H18N2O |
Molecular Weight: | 446.508 |
Synonyms: | 1,1'-Azoxypyrene; |
Density: | 1.34 g/cm3 |
Boiling Point: | 718.9 °C at 760 mmHg |
Flash Point: | 388.6 °C |
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The Diazene, di-1-pyrenyl-, 1-oxide (9CI), with the CAS registry number of 58447-78-2, is also known as 1-[(Z)-Pyren-1-yl-NNO-azoxy]pyrene. This chemical's molecular formula is C32H18N2O and molecular weight is 446.4981. What's more, its IUPAC name is Oxido-pyren-1-yl-pyren-1-yliminoazanium.
Physical properties about Diazene, di-1-pyrenyl-, 1-oxide (9CI) are: (1)ACD/LogP: 10.00; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.11 Å2; (7)Index of Refraction: 1.767; (8)Molar Refractivity: 137.49 cm3; (9)Molar Volume: 331.8 cm3; (10)Surface Tension: 56.8 dyne/cm; (11)Density: 1.34 g/cm3; (12)Flash Point: 388.6 °C; (13)Enthalpy of Vaporization: 101.31 kJ/mol; (14)Boiling Point: 718.9 °C at 760 mmHg; (15)Vapour Pressure: 1.11E-19 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-]\[N+](=N/c4ccc2ccc1cccc3c1c2c4cc3)c8c5c7c6c(cc5)cccc6ccc7cc8
(2) InChI: InChI=1/C32H18N2O/c35-34(28-18-14-24-10-8-20-4-2-6-22-12-16-26(28)32(24)30(20)22)33-27-17-13-23-9-7-19-3-1-5-21-11-15-25(27)31(23)29(19)21/h1-18H/b34-33-
(3) InChIKey: KSZLJNAQVRGGSG-YHZPTAEIBC