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

C275H293N43O6S3 — CID 160555331

IUPAC2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)c3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)c3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)c3)c2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)c2)c1.c1cc(-c2cc(-c3ccc(C4=NCCO4)cc3)nc(-c3ccc(C4=NCCO4)cc3)n2)ccc1C1=NCCO1
InChIInChI=1S/2C60H63N9.C45H57N9.C42H48N6S3.C37H37N5O3.C31H25N5O3/c1-55(2)58(7,8)67(49-22-16-13-17-23-49)52(64-55)46-31-43(34-61-37-46)40-28-41(44-32-47(38-62-35-44)53-65-56(3,4)59(9,10)68(53)50-24-18-14-19-25-50)30-42(29-40)45-33-48(39-63-36-45)54-66-57(5,6)60(11,12)69(54)51-26-20-15-21-27-51;1-55(2)58(7,8)67(52(64-55)40-22-16-13-17-23-40)49-31-46(34-61-37-49)43-28-44(47-32-50(38-62-35-47)68-53(41-24-18-14-19-25-41)65-56(3,4)59(68,9)10)30-45(29-43)48-33-51(39-63-36-48)69-54(42-26-20-15-21-27-42)66-57(5,6)60(69,11)12;1-28-49-40(4,5)43(10,11)52(28)37-19-34(22-46-25-37)31-16-32(35-20-38(26-47-23-35)53-29(2)50-41(6,7)44(53,12)13)18-33(17-31)36-21-39(27-48-24-36)54-30(3)51-42(8,9)45(54,14)15;1-37(2)40(7,8)49-34(46-37)31-16-28(19-43-22-31)25-13-26(29-17-32(23-44-20-29)35-47-38(3,4)41(9,10)50-35)15-27(14-25)30-18-33(24-45-21-30)36-48-39(5,6)42(11,12)51-36;1-35(2)20-43-32(40-35)26-13-7-23(8-14-26)29-19-30(24-9-15-27(16-10-24)33-41-36(3,4)21-44-33)39-31(38-29)25-11-17-28(18-12-25)34-42-37(5,6)22-45-34;1-7-23(29-32-13-16-37-29)8-2-20(1)26-19-27(21-3-9-24(10-4-21)30-33-14-17-38-30)36-28(35-26)22-5-11-25(12-6-22)31-34-15-18-39-31/h2*13-39H,1-12H3;16-27H,1-15H3;13-24H,1-12H3;7-19H,20-22H2,1-6H3;1-12,19H,13-18H2
InChIKeyQYPMMMPBLQLVAC-UHFFFAOYSA-N
MW4392.86 g/mol
LogP59.92
Rot. Bonds42

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

2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (PubChem CID 160555331) has the molecular formula C275H293N43O6S3 and a molecular weight of 4392.86 g/mol. Its IUPAC name is 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
PubChem CID160555331
Molecular FormulaC275H293N43O6S3
Molecular Weight4392.86 g/mol
Exact Mass4389.31
IUPAC Name2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)c3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)c3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)c3)c2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)c2)c1.c1cc(-c2cc(-c3ccc(C4=NCCO4)cc3)nc(-c3ccc(C4=NCCO4)cc3)n2)ccc1C1=NCCO1
InChIInChI=1S/2C60H63N9.C45H57N9.C42H48N6S3.C37H37N5O3.C31H25N5O3/c1-55(2)58(7,8)67(49-22-16-13-17-23-49)52(64-55)46-31-43(34-61-37-46)40-28-41(44-32-47(38-62-35-44)53-65-56(3,4)59(9,10)68(53)50-24-18-14-19-25-50)30-42(29-40)45-33-48(39-63-36-45)54-66-57(5,6)60(11,12)69(54)51-26-20-15-21-27-51;1-55(2)58(7,8)67(52(64-55)40-22-16-13-17-23-40)49-31-46(34-61-37-49)43-28-44(47-32-50(38-62-35-47)68-53(41-24-18-14-19-25-41)65-56(3,4)59(68,9)10)30-45(29-43)48-33-51(39-63-36-48)69-54(42-26-20-15-21-27-42)66-57(5,6)60(69,11)12;1-28-49-40(4,5)43(10,11)52(28)37-19-34(22-46-25-37)31-16-32(35-20-38(26-47-23-35)53-29(2)50-41(6,7)44(53,12)13)18-33(17-31)36-21-39(27-48-24-36)54-30(3)51-42(8,9)45(54,14)15;1-37(2)40(7,8)49-34(46-37)31-16-28(19-43-22-31)25-13-26(29-17-32(23-44-20-29)35-47-38(3,4)41(9,10)50-35)15-27(14-25)30-18-33(24-45-21-30)36-48-39(5,6)42(11,12)51-36;1-35(2)20-43-32(40-35)26-13-7-23(8-14-26)29-19-30(24-9-15-27(16-10-24)33-41-36(3,4)21-44-33)39-31(38-29)25-11-17-28(18-12-25)34-42-37(5,6)22-45-34;1-7-23(29-32-13-16-37-29)8-2-20(1)26-19-27(21-3-9-24(10-4-21)30-33-14-17-38-30)36-28(35-26)22-5-11-25(12-6-22)31-34-15-18-39-31/h2*13-39H,1-12H3;16-27H,1-15H3;13-24H,1-12H3;7-19H,20-22H2,1-6H3;1-12,19H,13-18H2
InChIKeyQYPMMMPBLQLVAC-UHFFFAOYSA-N
XLogP59.92
TPSA513.26 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds42
Heavy Atoms327
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004392.86
LogP ≤ 559.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-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-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The IUPAC name of 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (CID 160555331) is 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The canonical SMILES for 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)c3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)c3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)cc(-c4cncc(C5=NC(C)(C)C(C)(C)S5)c4)c3)c2)SC1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)cc(-c3cncc(N4C(C)=NC(C)(C)C4(C)C)c3)c2)c1.c1cc(-c2cc(-c3ccc(C4=NCCO4)cc3)nc(-c3ccc(C4=NCCO4)cc3)n2)ccc1C1=NCCO1.
What is the InChIKey of 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The InChIKey is QYPMMMPBLQLVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H63N9.C45H57N9.C42H48N6S3.C37H37N5O3.C31H25N5O3/c1-55(2)58(7,8)67(49-22-16-13-17-23-49)52(64-55)46-31-43(34-61-37-46)40-28-41(44-32-47(38-62-35-44)53-65-56(3,4)59(9,10)68(53)50-24-18-14-19-25-50)30-42(29-40)45-33-48(39-63-36-45)54-66-57(5,6)60(11,12)69(54)51-26-20-15-21-27-51;1-55(2)58(7,8)67(52(64-55)40-22-16-13-17-23-40)49-31-46(34-61-37-49)43-28-44(47-32-50(38-62-35-47)68-53(41-24-18-14-19-25-41)65-56(3,4)59(68,9)10)30-45(29-43)48-33-51(39-63-36-48)69-54(42-26-20-15-21-27-42)66-57(5,6)60(69,11)12;1-28-49-40(4,5)43(10,11)52(28)37-19-34(22-46-25-37)31-16-32(35-20-38(26-47-23-35)53-29(2)50-41(6,7)44(53,12)13)18-33(17-31)36-21-39(27-48-24-36)54-30(3)51-42(8,9)45(54,14)15;1-37(2)40(7,8)49-34(46-37)31-16-28(19-43-22-31)25-13-26(29-17-32(23-44-20-29)35-47-38(3,4)41(9,10)50-35)15-27(14-25)30-18-33(24-45-21-30)36-48-39(5,6)42(11,12)51-36;1-35(2)20-43-32(40-35)26-13-7-23(8-14-26)29-19-30(24-9-15-27(16-10-24)33-41-36(3,4)21-44-33)39-31(38-29)25-11-17-28(18-12-25)34-42-37(5,6)22-45-34;1-7-23(29-32-13-16-37-29)8-2-20(1)26-19-27(21-3-9-24(10-4-21)30-33-14-17-38-30)36-28(35-26)22-5-11-25(12-6-22)31-34-15-18-39-31/h2*13-39H,1-12H3;16-27H,1-15H3;13-24H,1-12H3;7-19H,20-22H2,1-6H3;1-12,19H,13-18H2.
What are the key properties of 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole has a molecular weight of 4392.86 g/mol, XLogP of 59.92, 42 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is sourced from PubChem (CID 160555331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).