4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-2,5-diphenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-2,5-diphenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

CAS: 149725-81-5

Formula: C56H56N6O4

SMILES: COC1=CC=C2N=CC=C(C(OC3=NC(=NC(OC(C4CC5CCN4CC5C=C)C4=CC=NC5=CC=C(OC)C=C45)=C3C3=CC=CC=C3)C3=CC=CC=C3)C3CC4CCN3CC4C=C)C2=C1

IUPAC: 4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}({[6-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methoxy)-2,5-diphenylpyrimidin-4-yl]oxy})methyl)-6-methoxyquinoline

InChI: InChI=1/C56H56N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h5-22,25-26,3

Composition: C (76.69%), H (6.44%), N (9.58%), O (7.30%)

Molar Mass: 877.102

Atom Count: 122

Heavy Atom Count: 66

Properties

Properties

Common Names	N/A
Aromatic Ring Count	7
Asymmetric Atom Count	10
Exact Mass	876.436304307
Formal Charge	0
FSP3	0.32
Hetero Ring Count	7
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
InChIKey	KLZPTMFWYYUEKH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	269.69
Topological Polar Surface Area	94.96
Polarizability	105.25
Ring Count	11
Rotatable Bond Count	14

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