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| CAS No.: | 57103-21-6 |
|---|---|
| Name: | 3,6-Diiodo-9-phenyl-9H-carbazole |
| Molecular Structure: | |
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| Formula: | C18H11I2N |
| Molecular Weight: | 495.101 |
| Synonyms: | 9H-Carbazole, 3,6-diiodo-9-phenyl-;3,6-Diiodo-9-phenylcarbazole; |
| Density: | 1.947 g/cm3 |
| Melting Point: | 181.0 to 185.0 °C |
| Boiling Point: | 540.837 °C at 760 mmHg |
| Flash Point: | 280.888 °C |
| Appearance: | white to pink yellow powder or crystals |
| PSA: | 4.93000 |
| LogP: | 5.99290 |
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- Total:26 Page 1 of 1 1
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Specification
3,6-Diiodo-9-phenyl-9H-carbazole is an organic compound with the formula C18H11I2N, and its systematic name is the same with the product name. With the CAS registry number 57103-21-6, it is also named as 9H-Carbazole, 3,6-diiodo-9-phenyl-. In addition, the molecular weight is 495.10.
Physical properties of 3,6-Diiodo-9-phenyl-9H-carbazole are: (1)ACD/LogP: 8.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.26; (4)ACD/LogD (pH 7.4): 8.26; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 742345.30; (8)ACD/KOC (pH 7.4): 742345.30; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 104.565 cm3; (15)Molar Volume: 254.33 cm3; (16)Polarizability: 41.453×10-24cm3; (17)Surface Tension: 54.10 dyne/cm; (18)Density: 1.947 g/cm3; (19)Flash Point: 280.888 °C; (20)Enthalpy of Vaporization: 81.858 kJ/mol; (21)Boiling Point: 540.837 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2cc3c1cc(I)ccc1n(c3cc2)c4ccccc4
(2)Std. InChI: InChI=1S/C18H11I2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
(3)Std. InChIKey: AWGAUYXFWGUFNE-UHFFFAOYSA-N