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2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene Specification

The 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene is an organic compound with the formula C81H68N4O8. With the CAS registry number 207739-72-8, its systematic name is N,N,N',N',N'',N'',N''',N'''-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Physical properties of 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene: (1)ACD/LogP: 20.48; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 13; (4)ACD/LogD (pH 7.4): 13; (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: 12; (10)#Freely Rotating Bonds: 20; (11)Index of Refraction: 1.744; (12)Molar Refractivity: 365.536 cm3; (13)Molar Volume: 902.931 cm3; (14)Surface Tension: 74.55 dyne/cm; (15)Density: 1.357 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)N(c2ccc(OC)cc2)c%11ccc%12c3ccc(cc3C6(c4cc(ccc4c5ccc(cc56)N(c7ccc(OC)cc7)c8ccc(OC)cc8)N(c9ccc(OC)cc9)c%10ccc(OC)cc%10)c%12c%11)N(c%13ccc(OC)cc%13)c%14ccc(OC)cc%14
(2)InChI: InChI=1/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
(3)InChIKey: XDXWNHPWWKGTKO-UHFFFAOYAK

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