2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole

C286H274N42O4 — CID 157268371

IUPAC2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/2C53H51N7.2C52H50N8.C40H40N6O2.C36H32N6O2/c1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)44-28-42(32-54-34-44)46-30-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)31-47(56-46)43-29-45(35-55-33-43)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)42-28-30-44(54-34-42)46-32-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)33-47(56-46)45-31-29-43(35-55-45)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)42-28-40(31-53-33-42)45-30-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)41-29-43(34-54-32-41)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)40-28-30-42(53-33-40)45-32-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)43-31-29-41(34-54-43)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36;1-35(2)21-39-33(43-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)41-32(42-31)29-17-15-27(20-38-29)34-40-22-36(3,4)44-34/h2*9-35H,1-8H3;2*9-34H,1-8H3;9-24H,1-8H3;5-20H,21-22H2,1-4H3
InChIKeyAYGFWJFNUBUMMI-UHFFFAOYSA-N
MW4363.63 g/mol
LogP63.19
Rot. Bonds44

About 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole

2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole (PubChem CID 157268371) has the molecular formula C286H274N42O4 and a molecular weight of 4363.63 g/mol. Its IUPAC name is 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
PubChem CID157268371
Molecular FormulaC286H274N42O4
Molecular Weight4363.63 g/mol
Exact Mass4360.25
IUPAC Name2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C
InChIInChI=1S/2C53H51N7.2C52H50N8.C40H40N6O2.C36H32N6O2/c1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)44-28-42(32-54-34-44)46-30-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)31-47(56-46)43-29-45(35-55-33-43)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)42-28-30-44(54-34-42)46-32-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)33-47(56-46)45-31-29-43(35-55-45)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)42-28-40(31-53-33-42)45-30-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)41-29-43(34-54-32-41)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)40-28-30-42(53-33-40)45-32-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)43-31-29-41(34-54-43)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36;1-35(2)21-39-33(43-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)41-32(42-31)29-17-15-27(20-38-29)34-40-22-36(3,4)44-34/h2*9-35H,1-8H3;2*9-34H,1-8H3;9-24H,1-8H3;5-20H,21-22H2,1-4H3
InChIKeyAYGFWJFNUBUMMI-UHFFFAOYSA-N
XLogP63.19
TPSA494.74 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004363.63
LogP ≤ 563.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250587
2-[5-[2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250590
2-[6-[4-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250592
2-[6-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250605
2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250609
2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250637
4,4,5,5-Tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole
CID 135250638
2-[6-[4-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250643
2-[6-[2,6-bis[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250722
2-[6-[2,6-Bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135250737
2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250738
2-[6-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250739

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole (CID 157268371) is 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5=NCC(C)(C)O5)cn4)n3)nc2)O1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cn4)n3)nc2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)c4)n3)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cncc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.
What is the InChIKey of 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole?
The InChIKey is AYGFWJFNUBUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H51N7.2C52H50N8.C40H40N6O2.C36H32N6O2/c1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)44-28-42(32-54-34-44)46-30-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)31-47(56-46)43-29-45(35-55-33-43)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-50(2)52(5,6)59(48(57-50)39-20-14-10-15-21-39)42-28-30-44(54-34-42)46-32-41(38-26-24-37(25-27-38)36-18-12-9-13-19-36)33-47(56-46)45-31-29-43(35-55-45)60-49(40-22-16-11-17-23-40)58-51(3,4)53(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)42-28-40(31-53-33-42)45-30-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)41-29-43(34-54-32-41)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-49(2)51(5,6)59(47(57-49)38-20-14-10-15-21-38)40-28-30-42(53-33-40)45-32-44(37-26-24-36(25-27-37)35-18-12-9-13-19-35)55-46(56-45)43-31-29-41(34-54-43)60-48(39-22-16-11-17-23-39)58-50(3,4)52(60,7)8;1-37(2)39(5,6)47-35(45-37)30-18-28(21-41-23-30)33-20-32(27-16-14-26(15-17-27)25-12-10-9-11-13-25)43-34(44-33)29-19-31(24-42-22-29)36-46-38(3,4)40(7,8)48-36;1-35(2)21-39-33(43-35)26-14-16-28(37-19-26)31-18-30(25-12-10-24(11-13-25)23-8-6-5-7-9-23)41-32(42-31)29-17-15-27(20-38-29)34-40-22-36(3,4)44-34/h2*9-35H,1-8H3;2*9-34H,1-8H3;9-24H,1-8H3;5-20H,21-22H2,1-4H3.
What are the key properties of 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole?
2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole has a molecular weight of 4363.63 g/mol, XLogP of 63.19, 44 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyridine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine;4-(4-phenylphenyl)-2,6-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine;4,4,5,5-tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 157268371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).