9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide

C404H356F2I2N28O8 — CID 158527531

IUPAC9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5cc6ccccc6cn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccc6ccccc6n5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccccn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5nccc6ccccc56)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c2ccccc21.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)c1.Fc1cc(F)c(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)c1.[I-].[I-]
InChIInChI=1S/3C57H55N3O.C53H53N3O.C52H42N4O.C44H32F2N4O.C44H33N4O.C40H31N4O.2HI/c1-54(2,3)40-24-28-44(29-25-40)60-51-31-26-41(55(4,5)6)36-47(51)57(53-22-12-13-33-58-53,48-37-42(56(7,8)9)27-32-52(48)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)50-30-23-38-16-10-11-21-49(38)59-50;1-54(2,3)40-23-27-44(28-24-40)60-50-29-25-41(55(4,5)6)36-48(50)57(52-22-12-13-32-58-52,49-37-42(56(7,8)9)26-30-51(49)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)53-47-21-11-10-16-38(47)31-33-59-53;1-54(2,3)41-23-27-45(28-24-41)60-51-29-25-42(55(4,5)6)35-48(51)57(53-22-12-13-31-58-53,49-36-43(56(7,8)9)26-30-52(49)60)44-19-15-21-47(34-44)61-46-20-14-18-39(32-46)50-33-38-16-10-11-17-40(38)37-59-50;1-50(2,3)37-22-26-41(27-23-37)56-47-28-24-38(51(4,5)6)34-44(47)53(49-21-11-13-31-55-49,45-35-39(52(7,8)9)25-29-48(45)56)40-17-15-19-43(33-40)57-42-18-14-16-36(32-42)46-20-10-12-30-54-46;1-34-14-12-15-35(2)50(34)38-29-41(55-33-44-36-25-26-37(28-36)51(44)54-55)32-43(30-38)57-42-19-13-16-39(31-42)52(49-24-10-11-27-53-49)45-20-6-8-22-47(45)56(40-17-4-3-5-18-40)48-23-9-7-21-46(48)52;45-36-25-37(46)41(26-40(36)49-27-33-28-20-21-29(23-28)43(33)48-49)51-32-14-10-11-30(24-32)44(42-19-8-9-22-47-42)34-15-4-6-17-38(34)50(31-12-2-1-3-13-31)39-18-7-5-16-35(39)44;1-46-31-47(42-26-10-9-25-41(42)46)34-18-14-20-36(30-34)49-35-19-13-15-32(29-35)44(43-27-11-12-28-45-43)37-21-5-7-23-39(37)48(33-16-3-2-4-17-33)40-24-8-6-22-38(40)44;1-42-25-26-43(29-42)32-16-12-18-34(28-32)45-33-17-11-13-30(27-33)40(39-23-9-10-24-41-39)35-19-5-7-21-37(35)44(31-14-3-2-4-15-31)38-22-8-6-20-36(38)40;;/h3*10-37H,1-9H3;10-35H,1-9H3;3-24,27,29-33,36-37H,25-26,28H2,1-2H3;1-19,22,24-29H,20-21,23H2;2-31H,1H3;2-29H,1H3;2*1H/q;;;;;;2*+1;;/p-2/t;;;;36-,37+;28-,29+;;;;/m....00..../s1
InChIKeyIWMWFGZUWKSTGA-VTNBBCCNSA-L
MW6023.28 g/mol
LogP95.65
Rot. Bonds49

About 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide

9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide (PubChem CID 158527531) has the molecular formula C404H356F2I2N28O8 and a molecular weight of 6023.28 g/mol. Its IUPAC name is 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide.

Molecular Properties

Compound Name9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide
PubChem CID158527531
Molecular FormulaC404H356F2I2N28O8
Molecular Weight6023.28 g/mol
Exact Mass6018.64
IUPAC Name9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide
SMILESCC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5cc6ccccc6cn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccc6ccccc6n5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccccn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5nccc6ccccc56)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c2ccccc21.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)c1.Fc1cc(F)c(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)c1.[I-].[I-]
InChIInChI=1S/3C57H55N3O.C53H53N3O.C52H42N4O.C44H32F2N4O.C44H33N4O.C40H31N4O.2HI/c1-54(2,3)40-24-28-44(29-25-40)60-51-31-26-41(55(4,5)6)36-47(51)57(53-22-12-13-33-58-53,48-37-42(56(7,8)9)27-32-52(48)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)50-30-23-38-16-10-11-21-49(38)59-50;1-54(2,3)40-23-27-44(28-24-40)60-50-29-25-41(55(4,5)6)36-48(50)57(52-22-12-13-32-58-52,49-37-42(56(7,8)9)26-30-51(49)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)53-47-21-11-10-16-38(47)31-33-59-53;1-54(2,3)41-23-27-45(28-24-41)60-51-29-25-42(55(4,5)6)35-48(51)57(53-22-12-13-31-58-53,49-36-43(56(7,8)9)26-30-52(49)60)44-19-15-21-47(34-44)61-46-20-14-18-39(32-46)50-33-38-16-10-11-17-40(38)37-59-50;1-50(2,3)37-22-26-41(27-23-37)56-47-28-24-38(51(4,5)6)34-44(47)53(49-21-11-13-31-55-49,45-35-39(52(7,8)9)25-29-48(45)56)40-17-15-19-43(33-40)57-42-18-14-16-36(32-42)46-20-10-12-30-54-46;1-34-14-12-15-35(2)50(34)38-29-41(55-33-44-36-25-26-37(28-36)51(44)54-55)32-43(30-38)57-42-19-13-16-39(31-42)52(49-24-10-11-27-53-49)45-20-6-8-22-47(45)56(40-17-4-3-5-18-40)48-23-9-7-21-46(48)52;45-36-25-37(46)41(26-40(36)49-27-33-28-20-21-29(23-28)43(33)48-49)51-32-14-10-11-30(24-32)44(42-19-8-9-22-47-42)34-15-4-6-17-38(34)50(31-12-2-1-3-13-31)39-18-7-5-16-35(39)44;1-46-31-47(42-26-10-9-25-41(42)46)34-18-14-20-36(30-34)49-35-19-13-15-32(29-35)44(43-27-11-12-28-45-43)37-21-5-7-23-39(37)48(33-16-3-2-4-17-33)40-24-8-6-22-38(40)44;1-42-25-26-43(29-42)32-16-12-18-34(28-32)45-33-17-11-13-30(27-33)40(39-23-9-10-24-41-39)35-19-5-7-21-37(35)44(31-14-3-2-4-15-31)38-22-8-6-20-36(38)40;;/h3*10-37H,1-9H3;10-35H,1-9H3;3-24,27,29-33,36-37H,25-26,28H2,1-2H3;1-19,22,24-29H,20-21,23H2;2-31H,1H3;2-29H,1H3;2*1H/q;;;;;;2*+1;;/p-2/t;;;;36-,37+;28-,29+;;;;/m....00..../s1
InChIKeyIWMWFGZUWKSTGA-VTNBBCCNSA-L
XLogP95.65
TPSA307.70 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds49
Heavy Atoms444
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006023.28
LogP ≤ 595.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide with MolForge

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Related Compounds

2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-3-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-quinolin-2-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-quinolin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine
CID 158489250
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158527534
9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158597634
2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 157104232
9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158415835
(1R,7S)-4-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene
CID 160512173
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 160845402
2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 158403134
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
3-(4-tert-butyl-2-pyridinyl)-1-[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]phenoxy]indolo[2,1-a]isoquinoline
CID 176766986

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide?
The IUPAC name of 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide (CID 158527531) is 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide.
What is the SMILES notation for 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide?
The canonical SMILES for 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5cc6ccccc6cn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccc6ccccc6n5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5ccccn5)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C(c3cccc(Oc4cccc(-c5nccc6ccccc56)c4)c3)(c3ccccn3)c3cc(C(C)(C)C)ccc32)cc1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)c2)c2ccccc21.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)c1.Fc1cc(F)c(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)cc1Oc1cccc(C2(c3ccccn3)c3ccccc3N(c3ccccc3)c3ccccc32)c1.[I-].[I-].
What is the InChIKey of 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide?
The InChIKey is IWMWFGZUWKSTGA-VTNBBCCNSA-L. The full InChI is InChI=1S/3C57H55N3O.C53H53N3O.C52H42N4O.C44H32F2N4O.C44H33N4O.C40H31N4O.2HI/c1-54(2,3)40-24-28-44(29-25-40)60-51-31-26-41(55(4,5)6)36-47(51)57(53-22-12-13-33-58-53,48-37-42(56(7,8)9)27-32-52(48)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)50-30-23-38-16-10-11-21-49(38)59-50;1-54(2,3)40-23-27-44(28-24-40)60-50-29-25-41(55(4,5)6)36-48(50)57(52-22-12-13-32-58-52,49-37-42(56(7,8)9)26-30-51(49)60)43-18-15-20-46(35-43)61-45-19-14-17-39(34-45)53-47-21-11-10-16-38(47)31-33-59-53;1-54(2,3)41-23-27-45(28-24-41)60-51-29-25-42(55(4,5)6)35-48(51)57(53-22-12-13-31-58-53,49-36-43(56(7,8)9)26-30-52(49)60)44-19-15-21-47(34-44)61-46-20-14-18-39(32-46)50-33-38-16-10-11-17-40(38)37-59-50;1-50(2,3)37-22-26-41(27-23-37)56-47-28-24-38(51(4,5)6)34-44(47)53(49-21-11-13-31-55-49,45-35-39(52(7,8)9)25-29-48(45)56)40-17-15-19-43(33-40)57-42-18-14-16-36(32-42)46-20-10-12-30-54-46;1-34-14-12-15-35(2)50(34)38-29-41(55-33-44-36-25-26-37(28-36)51(44)54-55)32-43(30-38)57-42-19-13-16-39(31-42)52(49-24-10-11-27-53-49)45-20-6-8-22-47(45)56(40-17-4-3-5-18-40)48-23-9-7-21-46(48)52;45-36-25-37(46)41(26-40(36)49-27-33-28-20-21-29(23-28)43(33)48-49)51-32-14-10-11-30(24-32)44(42-19-8-9-22-47-42)34-15-4-6-17-38(34)50(31-12-2-1-3-13-31)39-18-7-5-16-35(39)44;1-46-31-47(42-26-10-9-25-41(42)46)34-18-14-20-36(30-34)49-35-19-13-15-32(29-35)44(43-27-11-12-28-45-43)37-21-5-7-23-39(37)48(33-16-3-2-4-17-33)40-24-8-6-22-38(40)44;1-42-25-26-43(29-42)32-16-12-18-34(28-32)45-33-17-11-13-30(27-33)40(39-23-9-10-24-41-39)35-19-5-7-21-37(35)44(31-14-3-2-4-15-31)38-22-8-6-20-36(38)40;;/h3*10-37H,1-9H3;10-35H,1-9H3;3-24,27,29-33,36-37H,25-26,28H2,1-2H3;1-19,22,24-29H,20-21,23H2;2-31H,1H3;2-29H,1H3;2*1H/q;;;;;;2*+1;;/p-2/t;;;;36-,37+;28-,29+;;;;/m....00..../s1.
What are the key properties of 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide?
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide has a molecular weight of 6023.28 g/mol, XLogP of 95.65, 49 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide is sourced from PubChem (CID 158527531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).