2,7-Triphenylenediol,3,6,10,11-tetrakis(pentyloxy)- (102737-76-8)

The 3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol with cas registry number of 102737-76-8, has the systematic name of 3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diol. And it is also named 3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol.

Physical properties about this chemical are: (1)ACD/LogP: 11.71; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 184.384 cm³; (15)Molar Volume: 548.758 cm³; (16)Polarizability: 73.095×10^-24cm³; (17)Surface Tension: 43.838 dyne/cm; (18)Enthalpy of Vaporization: 112.324 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Oc3cc2c4cc(OCCCCC)c(OCCCCC)cc4c1cc(O)c(OCCCCC)cc1c2cc3OCCCCC;
(2)InChI: InChI=1/C38H52O6/c1-5-9-13-17-41-35-23-29-27(21-33(35)39)31-25-37(43-19-15-11-7-3)38(44-20-16-12-8-4)26-32(31)28-22-34(40)36(24-30(28)29)42-18-14-10-6-2/h21-26,39-40H,5-20H2,1-4H3;
(3)InChIKey: RRXLJTWVCLAAJD-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C38H52O6/c1-5-9-13-17-41-35-23-29-27(21-33(35)39)31-25-37(43-19-15-11-7-3)38(44-20-16-12-8-4)26-32(31)28-22-34(40)36(24-30(28)29)42-18-14-10-6-2/h21-26,39-40H,5-20H2,1-4H3;
(5)Std. InChIKey: RRXLJTWVCLAAJD-UHFFFAOYSA-N