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Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]- (162213-03-8)

Identification
Name:Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]-
Synonyms:2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine;
CAS:162213-03-8
Molecular Formula: C41H39N3O2
Molecular Weight: 605.77
Molecular Structure: (C41H39N3O2) 2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine;
Properties
Density:1.15
Specification:

The CAS register number of 2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine is 162213-03-8. It also can be called as Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]- and the systematic name about this chemical is 2,6-bis[(4S)-5,5-diphenyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine.

Physical properties about 2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine are: (1)ACD/LogP: 7.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3275074; (8)ACD/KOC (pH 7.4): 3280832; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 56.07Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 185.931 cm3; (14)Molar Volume: 526.038 cm3; (15)Polarizability: 73.709x10-24cm3; (16)Surface Tension: 43.522 dyne/cm; (17)Enthalpy of Vaporization: 104.016 kJ/mol; (18)Boiling Point: 739.266 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N\3=C(\OC(c1ccccc1)(c2ccccc2)[C@@H]/3C(C)C)c7nc(C/4=N/[C@@H](C(C)C)C(O\4)(c5ccccc5)c6ccccc6)ccc7
(2)InChI: InChI=1/C41H39N3O2/c1-28(2)36-40(30-18-9-5-10-19-30,31-20-11-6-12-21-31)45-38(43-36)34-26-17-27-35(42-34)39-44-37(29(3)4)41(46-39,32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-29,36-37H,1-4H3/t36-,37-/m0/s1
(3)InChIKey: VUJKULRKYWRJLV-BCRBLDSWBZ
(4)Std. InChI: InChI=1S/C41H39N3O2/c1-28(2)36-40(30-18-9-5-10-19-30,31-20-11-6-12-21-31)45-38(43-36)34-26-17-27-35(42-34)39-44-37(29(3)4)41(46-39,32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-29,36-37H,1-4H3/t36-,37-/m0/s1
(5)Std. InChIKey: VUJKULRKYWRJLV-BCRBLDSWSA-N

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