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5-Phenyl-1,10-phenanthroline

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Name

5-Phenyl-1,10-phenanthroline

EINECS 228-172-4
CAS No. 6153-89-5 Density 1.223 g/cm3
Solubility Melting Point
Formula C18H12N2 Boiling Point 436.4 °C at 760 mmHg
Molecular Weight 256.30 Flash Point 192.4 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 6153-89-5 (5-Phenyl-1,10-phenanthroline) Hazard Symbols
Synonyms

5-Phenyl-1,10-phenanthroline;5-Phenylpyridino[3,2-h]quinoline;

 

5-Phenyl-1,10-phenanthroline Specification

The 5-Phenyl-1,10-phenanthroline, with the CAS registry number 6153-89-5, is also known as 5-Phenylpyridino[3,2-h]quinoline. Its EINECS number is 228-172-4. This chemical's molecular formula is C18H12N2 and molecular weight is 256.30. What's more, its IUPAC name is 5-Phenyl-1,10-phenanthroline.

Physical properties of 5-Phenyl-1,10-phenanthroline are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 223.04; (6)ACD/BCF (pH 7.4): 286.32; (7)ACD/KOC (pH 5.5): 1553.48; (8)ACD/KOC (pH 7.4): 1994.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 82.71 cm3; (15)Molar Volume: 209.3 cm3; (16)Polarizability: 32.78×10-24 cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 192.4 °C; (20)Enthalpy of Vaporization: 66.61 kJ/mol; (21)Boiling Point: 436.4 °C at 760 mmHg; (22)Vapour Pressure: 2.07E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC=NC3=C4C(=C2)C=CC=N4
(2)InChI: InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H
(3)InChIKey: QQEQHUHZBMUJET-UHFFFAOYSA-N

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