2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

C261H288N42O6S6 — CID 159458459

IUPAC2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)CN=C(c2cccc(-c3cc(-c4cccc(C5=NCC(C)(C)O5)n4)cc(-c4cccc(C5=NCC(C)(C)O5)n4)c3)n2)O1.CC1(C)CSC(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)CS5)n4)cc(-c4cccc(C5=NC(C)(C)CS5)n4)c3)n2)=N1.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)c3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)c3)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)c3)n2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)c2)n1
InChIInChI=1S/C60H63N9.C45H57N9.C42H48N6O3.C42H48N6S3.C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(43-25-16-13-17-26-43)52(64-55)49-34-22-31-46(61-49)40-37-41(47-32-23-35-50(62-47)53-65-56(3,4)59(9,10)68(53)44-27-18-14-19-28-44)39-42(38-40)48-33-24-36-51(63-48)54-66-57(5,6)60(11,12)69(54)45-29-20-15-21-30-45;1-28-49-40(4,5)43(10,11)52(28)37-22-16-19-34(46-37)31-25-32(35-20-17-23-38(47-35)53-29(2)50-41(6,7)44(53,12)13)27-33(26-31)36-21-18-24-39(48-36)54-30(3)51-42(8,9)45(54,14)15;2*1-37(2)40(7,8)49-34(46-37)31-19-13-16-28(43-31)25-22-26(29-17-14-20-32(44-29)35-47-38(3,4)41(9,10)50-35)24-27(23-25)30-18-15-21-33(45-30)36-48-39(5,6)42(11,12)51-36;1-34(2)19-37-31(43-34)28-13-7-10-25(40-28)22-16-23(26-11-8-14-29(41-26)32-38-20-35(3,4)44-32)18-24(17-22)27-12-9-15-30(42-27)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)28-13-7-10-25(37-28)22-16-23(26-11-8-14-29(38-26)32-41-35(3,4)20-44-32)18-24(17-22)27-12-9-15-30(39-27)33-42-36(5,6)21-45-33/h13-39H,1-12H3;16-27H,1-15H3;2*13-24H,1-12H3;2*7-18H,19-21H2,1-6H3
InChIKeyLUGYUCSFHCEBGX-UHFFFAOYSA-N
MW4301.86 g/mol
LogP58.73
Rot. Bonds39

About 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (PubChem CID 159458459) has the molecular formula C261H288N42O6S6 and a molecular weight of 4301.86 g/mol. Its IUPAC name is 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
PubChem CID159458459
Molecular FormulaC261H288N42O6S6
Molecular Weight4301.86 g/mol
Exact Mass4298.18
IUPAC Name2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)CN=C(c2cccc(-c3cc(-c4cccc(C5=NCC(C)(C)O5)n4)cc(-c4cccc(C5=NCC(C)(C)O5)n4)c3)n2)O1.CC1(C)CSC(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)CS5)n4)cc(-c4cccc(C5=NC(C)(C)CS5)n4)c3)n2)=N1.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)c3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)c3)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)c3)n2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)c2)n1
InChIInChI=1S/C60H63N9.C45H57N9.C42H48N6O3.C42H48N6S3.C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(43-25-16-13-17-26-43)52(64-55)49-34-22-31-46(61-49)40-37-41(47-32-23-35-50(62-47)53-65-56(3,4)59(9,10)68(53)44-27-18-14-19-28-44)39-42(38-40)48-33-24-36-51(63-48)54-66-57(5,6)60(11,12)69(54)45-29-20-15-21-30-45;1-28-49-40(4,5)43(10,11)52(28)37-22-16-19-34(46-37)31-25-32(35-20-17-23-38(47-35)53-29(2)50-41(6,7)44(53,12)13)27-33(26-31)36-21-18-24-39(48-36)54-30(3)51-42(8,9)45(54,14)15;2*1-37(2)40(7,8)49-34(46-37)31-19-13-16-28(43-31)25-22-26(29-17-14-20-32(44-29)35-47-38(3,4)41(9,10)50-35)24-27(23-25)30-18-15-21-33(45-30)36-48-39(5,6)42(11,12)51-36;1-34(2)19-37-31(43-34)28-13-7-10-25(40-28)22-16-23(26-11-8-14-29(41-26)32-38-20-35(3,4)44-32)18-24(17-22)27-12-9-15-30(42-27)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)28-13-7-10-25(37-28)22-16-23(26-11-8-14-29(38-26)32-41-35(3,4)20-44-32)18-24(17-22)27-12-9-15-30(39-27)33-42-36(5,6)21-45-33/h13-39H,1-12H3;16-27H,1-15H3;2*13-24H,1-12H3;2*7-18H,19-21H2,1-6H3
InChIKeyLUGYUCSFHCEBGX-UHFFFAOYSA-N
XLogP58.73
TPSA529.32 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds39
Heavy Atoms315
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004301.86
LogP ≤ 558.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The IUPAC name of 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (CID 159458459) is 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.
What is the SMILES notation for 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The canonical SMILES for 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is CC1(C)CN=C(c2cccc(-c3cc(-c4cccc(C5=NCC(C)(C)O5)n4)cc(-c4cccc(C5=NCC(C)(C)O5)n4)c3)n2)O1.CC1(C)CSC(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)CS5)n4)cc(-c4cccc(C5=NC(C)(C)CS5)n4)c3)n2)=N1.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)c3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)n4)c3)n2)OC1(C)C.CC1(C)N=C(c2cccc(-c3cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)cc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)c3)n2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)cc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)c2)n1.
What is the InChIKey of 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The InChIKey is LUGYUCSFHCEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63N9.C45H57N9.C42H48N6O3.C42H48N6S3.C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(43-25-16-13-17-26-43)52(64-55)49-34-22-31-46(61-49)40-37-41(47-32-23-35-50(62-47)53-65-56(3,4)59(9,10)68(53)44-27-18-14-19-28-44)39-42(38-40)48-33-24-36-51(63-48)54-66-57(5,6)60(11,12)69(54)45-29-20-15-21-30-45;1-28-49-40(4,5)43(10,11)52(28)37-22-16-19-34(46-37)31-25-32(35-20-17-23-38(47-35)53-29(2)50-41(6,7)44(53,12)13)27-33(26-31)36-21-18-24-39(48-36)54-30(3)51-42(8,9)45(54,14)15;2*1-37(2)40(7,8)49-34(46-37)31-19-13-16-28(43-31)25-22-26(29-17-14-20-32(44-29)35-47-38(3,4)41(9,10)50-35)24-27(23-25)30-18-15-21-33(45-30)36-48-39(5,6)42(11,12)51-36;1-34(2)19-37-31(43-34)28-13-7-10-25(40-28)22-16-23(26-11-8-14-29(41-26)32-38-20-35(3,4)44-32)18-24(17-22)27-12-9-15-30(42-27)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)28-13-7-10-25(37-28)22-16-23(26-11-8-14-29(38-26)32-41-35(3,4)20-44-32)18-24(17-22)27-12-9-15-30(39-27)33-42-36(5,6)21-45-33/h13-39H,1-12H3;16-27H,1-15H3;2*13-24H,1-12H3;2*7-18H,19-21H2,1-6H3.
What are the key properties of 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole has a molecular weight of 4301.86 g/mol, XLogP of 58.73, 39 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,5-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[6-[3,5-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[3,5-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]phenyl]-6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3,5-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]phenyl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;2-[6-[3,5-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is sourced from PubChem (CID 159458459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).