Phosphine,(phenylmethyl)bis(tricyclo[3.3.1.13,7]dec-1-yl)- (395116-70-8)

The Di(1-adamantyl)benzylphosphine with its cas register number is 395116-70-8. It also can be called as Phosphine,(phenylmethyl)bis(tricyclo[3.3.1.13,7]dec-1-yl)- and the Systematic name about this chemical is benzyl(ditricyclo[3.3.1.1~3,7~]dec-1-yl)phosphane. When you are using it, please avoid contact with skin and eyes.

Physical properties about Di(1-adamantyl)benzylphosphine are: (1)ACD/LogP: 8.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.36; (4)ACD/LogD (pH 7.4): 8.36; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 841081.5; (8)ACD/KOC (pH 7.4): 841081.5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 13.59Ų.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CP(C24CC3CC(C2)CC(C3)C4)C57CC6CC(CC(C5)C6)C7
(2)InChI: InChI=1/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
(3)InChIKey: ANIAFEJRWQDKDV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
(5)Std. InChIKey: ANIAFEJRWQDKDV-UHFFFAOYSA-N