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

C300H304N40O4S4 — CID 160778520

IUPAC2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)nc(-c3ccccc3)n2)cc1.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/2C48H48N6.2C38H44N6.2C32H30N4O2.2C32H30N4S2/c1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-33(25-29-36)40-32-41(50-42(49-40)35-18-12-9-13-19-35)34-26-30-37(31-27-34)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-34(25-29-36)41-32-40(33-18-12-9-13-19-33)49-42(50-41)35-26-30-37(31-27-35)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-25-41-35(3,4)37(7,8)43(25)30-20-16-27(17-21-30)32-24-33(40-34(39-32)29-14-12-11-13-15-29)28-18-22-31(23-19-28)44-26(2)42-36(5,6)38(44,9)10;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;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30/h2*9-32H,1-8H3;2*11-24H,1-10H3;4*5-18H,19-20H2,1-4H3
InChIKeySAGQAMYSWKFFHF-UHFFFAOYSA-N
MW4662.28 g/mol
LogP69.61
Rot. Bonds44

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

2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine (PubChem CID 160778520) has the molecular formula C300H304N40O4S4 and a molecular weight of 4662.28 g/mol. Its IUPAC name is 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
PubChem CID160778520
Molecular FormulaC300H304N40O4S4
Molecular Weight4662.28 g/mol
Exact Mass4658.37
IUPAC Name2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)nc(-c3ccccc3)n2)cc1.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/2C48H48N6.2C38H44N6.2C32H30N4O2.2C32H30N4S2/c1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-33(25-29-36)40-32-41(50-42(49-40)35-18-12-9-13-19-35)34-26-30-37(31-27-34)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-34(25-29-36)41-32-40(33-18-12-9-13-19-33)49-42(50-41)35-26-30-37(31-27-35)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-25-41-35(3,4)37(7,8)43(25)30-20-16-27(17-21-30)32-24-33(40-34(39-32)29-14-12-11-13-15-29)28-18-22-31(23-19-28)44-26(2)42-36(5,6)38(44,9)10;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;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30/h2*9-32H,1-8H3;2*11-24H,1-10H3;4*5-18H,19-20H2,1-4H3
InChIKeySAGQAMYSWKFFHF-UHFFFAOYSA-N
XLogP69.61
TPSA466.84 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds44
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004662.28
LogP ≤ 569.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine (CID 160778520) is 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine is CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)COC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CO5)cc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)cc4)nc(-c4ccccc4)n3)cc2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)CS5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)nc(-c3ccccc3)n2)cc1.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;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The InChIKey is SAGQAMYSWKFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H48N6.2C38H44N6.2C32H30N4O2.2C32H30N4S2/c1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-33(25-29-36)40-32-41(50-42(49-40)35-18-12-9-13-19-35)34-26-30-37(31-27-34)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-45(2)47(5,6)53(38-20-14-10-15-21-38)43(51-45)36-28-24-34(25-29-36)41-32-40(33-18-12-9-13-19-33)49-42(50-41)35-26-30-37(31-27-35)44-52-46(3,4)48(7,8)54(44)39-22-16-11-17-23-39;1-25-41-35(3,4)37(7,8)43(25)30-20-16-27(17-21-30)32-24-33(40-34(39-32)29-14-12-11-13-15-29)28-18-22-31(23-19-28)44-26(2)42-36(5,6)38(44,9)10;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;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-21(11-15-24)26-18-27(34-28(33-26)23-8-6-5-7-9-23)22-12-16-25(17-13-22)30-36-32(3,4)20-38-30;1-31(2)19-37-29(35-31)24-14-10-22(11-15-24)27-18-26(21-8-6-5-7-9-21)33-28(34-27)23-12-16-25(17-13-23)30-36-32(3,4)20-38-30/h2*9-32H,1-8H3;2*11-24H,1-10H3;4*5-18H,19-20H2,1-4H3.
What are the key properties of 2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine has a molecular weight of 4662.28 g/mol, XLogP of 69.61, 44 rotatable bonds, 0 hydrogen bond donors, and 48 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;4,6-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-2-phenylpyrimidine;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[2-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine;4-phenyl-2,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 160778520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).