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

C286H292N54O4S4 — CID 158597724

IUPAC2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccccc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)NC(C)(C)C4(C)C)nc3)nc(-c3ccccc3)n2)cn1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1
InChIInChI=1S/2C46H46N8.C38H44N6.C36H44N8.2C30H28N6O2.2C30H28N6S2/c1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)38-28-39(50-40(49-38)31-18-12-9-13-19-31)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)39-28-38(31-18-12-9-13-19-31)49-40(50-39)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-25-41-35(3,4)37(7,8)43(25)30-20-16-28(17-21-30)33-24-32(27-14-12-11-13-15-27)39-34(40-33)29-18-22-31(23-19-29)44-26(2)42-36(5,6)38(44,9)10;1-23-41-33(3,4)35(7,8)43(23)30-18-16-26(21-37-30)28-20-29(40-32(39-28)25-14-12-11-13-15-25)27-17-19-31(38-22-27)44-24(2)42-34(5,6)36(44,9)10;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h2*9-30H,1-8H3;11-24H,1-10H3;11-23,41H,1-10H3;4*5-16H,17-18H2,1-4H3
InChIKeyHVFZDIOZFUXAHG-UHFFFAOYSA-N
MW4678.12 g/mol
LogP60.66
Rot. Bonds44

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

2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine (PubChem CID 158597724) has the molecular formula C286H292N54O4S4 and a molecular weight of 4678.12 g/mol. Its IUPAC name is 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
PubChem CID158597724
Molecular FormulaC286H292N54O4S4
Molecular Weight4678.12 g/mol
Exact Mass4674.32
IUPAC Name2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccccc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)NC(C)(C)C4(C)C)nc3)nc(-c3ccccc3)n2)cn1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1
InChIInChI=1S/2C46H46N8.C38H44N6.C36H44N8.2C30H28N6O2.2C30H28N6S2/c1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)38-28-39(50-40(49-38)31-18-12-9-13-19-31)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)39-28-38(31-18-12-9-13-19-31)49-40(50-39)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-25-41-35(3,4)37(7,8)43(25)30-20-16-28(17-21-30)33-24-32(27-14-12-11-13-15-27)39-34(40-33)29-18-22-31(23-19-29)44-26(2)42-36(5,6)38(44,9)10;1-23-41-33(3,4)35(7,8)43(23)30-18-16-26(21-37-30)28-20-29(40-32(39-28)25-14-12-11-13-15-25)27-17-19-31(38-22-27)44-24(2)42-34(5,6)36(44,9)10;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h2*9-30H,1-8H3;11-24H,1-10H3;11-23,41H,1-10H3;4*5-16H,17-18H2,1-4H3
InChIKeyHVFZDIOZFUXAHG-UHFFFAOYSA-N
XLogP60.66
TPSA646.97 Ų
H-Bond Donors1
H-Bond Acceptors62
Rotatable Bonds44
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004678.12
LogP ≤ 560.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1062

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine (CID 158597724) is 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine is CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccccc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccccc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)NC(C)(C)C4(C)C)nc3)nc(-c3ccccc3)n2)cn1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The InChIKey is HVFZDIOZFUXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H46N8.C38H44N6.C36H44N8.2C30H28N6O2.2C30H28N6S2/c1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)38-28-39(50-40(49-38)31-18-12-9-13-19-31)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-43(2)45(5,6)53(34-20-14-10-15-21-34)41(51-43)36-26-24-32(29-47-36)39-28-38(31-18-12-9-13-19-31)49-40(50-39)33-25-27-37(48-30-33)42-52-44(3,4)46(7,8)54(42)35-22-16-11-17-23-35;1-25-41-35(3,4)37(7,8)43(25)30-20-16-28(17-21-30)33-24-32(27-14-12-11-13-15-27)39-34(40-33)29-18-22-31(23-19-29)44-26(2)42-36(5,6)38(44,9)10;1-23-41-33(3,4)35(7,8)43(23)30-18-16-26(21-37-30)28-20-29(40-32(39-28)25-14-12-11-13-15-25)27-17-19-31(38-22-27)44-24(2)42-34(5,6)36(44,9)10;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)24-14-25(34-26(33-24)19-8-6-5-7-9-19)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28;1-29(2)17-37-27(35-29)22-12-10-20(15-31-22)25-14-24(19-8-6-5-7-9-19)33-26(34-25)21-11-13-23(32-16-21)28-36-30(3,4)18-38-28/h2*9-30H,1-8H3;11-24H,1-10H3;11-23,41H,1-10H3;4*5-16H,17-18H2,1-4H3.
What are the key properties of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine has a molecular weight of 4678.12 g/mol, XLogP of 60.66, 44 rotatable bonds, 1 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[6-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;4-[6-(2,4,4,5,5-pentamethylimidazolidin-1-yl)-3-pyridinyl]-6-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-2-phenylpyrimidine;2-phenyl-4,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine;4-phenyl-2,6-bis[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 158597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).