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

C256H274N62O3S6 — CID 158538397

IUPAC2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine
SMILESCC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)n4)nc(-c4cccc(C5=NC(C)(C)CS5)n4)n3)n2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)n3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)n3)n2)SC1(C)C.CC1(C)N=C(c2ccccc2)N(c2cccc(-c3nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)n3)n2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)n2)n1.c1cc(C2=NCCO2)cc(-c2nc(-c3cncc(C4=NCCO4)c3)nc(-c3cncc(C4=NCCO4)c3)n2)c1
InChIInChI=1S/2C57H60N12.C42H54N12.C39H45N9S3.C33H33N9S3.C28H22N8O3/c1-52(2)55(7,8)67(37-25-16-13-17-26-37)49(64-52)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)50-65-53(3,4)56(9,10)68(50)38-27-18-14-19-28-38)63-48(62-46)42-33-24-36-45(60-42)51-66-54(5,6)57(11,12)69(51)39-29-20-15-21-30-39;1-52(2)55(7,8)67(49(64-52)37-25-16-13-17-26-37)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)68-50(38-27-18-14-19-28-38)65-53(3,4)56(68,9)10)63-48(62-46)42-33-24-36-45(60-42)69-51(39-29-20-15-21-30-39)66-54(5,6)57(69,11)12;1-25-49-37(4,5)40(10,11)52(25)31-22-16-19-28(43-31)34-46-35(29-20-17-23-32(44-29)53-26(2)50-38(6,7)41(53,12)13)48-36(47-34)30-21-18-24-33(45-30)54-27(3)51-39(8,9)42(54,14)15;1-34(2)37(7,8)49-31(46-34)25-19-13-16-22(40-25)28-43-29(23-17-14-20-26(41-23)32-47-35(3,4)38(9,10)50-32)45-30(44-28)24-18-15-21-27(42-24)33-48-36(5,6)39(11,12)51-33;1-31(2)16-43-28(40-31)22-13-7-10-19(34-22)25-37-26(20-11-8-14-23(35-20)29-41-32(3,4)17-44-29)39-27(38-25)21-12-9-15-24(36-21)30-42-33(5,6)18-45-30;1-2-17(10-18(3-1)26-31-4-7-37-26)23-34-24(19-11-21(15-29-13-19)27-32-5-8-38-27)36-25(35-23)20-12-22(16-30-14-20)28-33-6-9-39-28/h2*13-36H,1-12H3;16-24H,1-15H3;13-21H,1-12H3;7-15H,16-18H2,1-6H3;1-3,10-16H,4-9H2
InChIKeyHOFJHIUHQRHITN-UHFFFAOYSA-N
MW4459.84 g/mol
LogP50.58
Rot. Bonds42

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

2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine (PubChem CID 158538397) has the molecular formula C256H274N62O3S6 and a molecular weight of 4459.84 g/mol. Its IUPAC name is 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine
PubChem CID158538397
Molecular FormulaC256H274N62O3S6
Molecular Weight4459.84 g/mol
Exact Mass4456.15
IUPAC Name2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine
SMILESCC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)n4)nc(-c4cccc(C5=NC(C)(C)CS5)n4)n3)n2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)n3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)n3)n2)SC1(C)C.CC1(C)N=C(c2ccccc2)N(c2cccc(-c3nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)n3)n2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)n2)n1.c1cc(C2=NCCO2)cc(-c2nc(-c3cncc(C4=NCCO4)c3)nc(-c3cncc(C4=NCCO4)c3)n2)c1
InChIInChI=1S/2C57H60N12.C42H54N12.C39H45N9S3.C33H33N9S3.C28H22N8O3/c1-52(2)55(7,8)67(37-25-16-13-17-26-37)49(64-52)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)50-65-53(3,4)56(9,10)68(50)38-27-18-14-19-28-38)63-48(62-46)42-33-24-36-45(60-42)51-66-54(5,6)57(11,12)69(51)39-29-20-15-21-30-39;1-52(2)55(7,8)67(49(64-52)37-25-16-13-17-26-37)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)68-50(38-27-18-14-19-28-38)65-53(3,4)56(68,9)10)63-48(62-46)42-33-24-36-45(60-42)69-51(39-29-20-15-21-30-39)66-54(5,6)57(69,11)12;1-25-49-37(4,5)40(10,11)52(25)31-22-16-19-28(43-31)34-46-35(29-20-17-23-32(44-29)53-26(2)50-38(6,7)41(53,12)13)48-36(47-34)30-21-18-24-33(45-30)54-27(3)51-39(8,9)42(54,14)15;1-34(2)37(7,8)49-31(46-34)25-19-13-16-22(40-25)28-43-29(23-17-14-20-26(41-23)32-47-35(3,4)38(9,10)50-32)45-30(44-28)24-18-15-21-27(42-24)33-48-36(5,6)39(11,12)51-33;1-31(2)16-43-28(40-31)22-13-7-10-19(34-22)25-37-26(20-11-8-14-23(35-20)29-41-32(3,4)17-44-29)39-27(38-25)21-12-9-15-24(36-21)30-42-33(5,6)18-45-30;1-2-17(10-18(3-1)26-31-4-7-37-26)23-34-24(19-11-21(15-29-13-19)27-32-5-8-38-27)36-25(35-23)20-12-22(16-30-14-20)28-33-6-9-39-28/h2*13-36H,1-12H3;16-24H,1-15H3;13-21H,1-12H3;7-15H,16-18H2,1-6H3;1-3,10-16H,4-9H2
InChIKeyHOFJHIUHQRHITN-UHFFFAOYSA-N
XLogP50.58
TPSA730.48 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds42
Heavy Atoms327
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004459.84
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine (CID 158538397) is 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine is CC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)n4)nc(-c4cccc(C5=NC(C)(C)CS5)n4)n3)n2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)n4)n3)n2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)n4)n3)n2)SC1(C)C.CC1(C)N=C(c2ccccc2)N(c2cccc(-c3nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)nc(-c4cccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)n4)n3)n2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)nc(-c3cccc(N4C(C)=NC(C)(C)C4(C)C)n3)n2)n1.c1cc(C2=NCCO2)cc(-c2nc(-c3cncc(C4=NCCO4)c3)nc(-c3cncc(C4=NCCO4)c3)n2)c1.
What is the InChIKey of 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine?
The InChIKey is HOFJHIUHQRHITN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H60N12.C42H54N12.C39H45N9S3.C33H33N9S3.C28H22N8O3/c1-52(2)55(7,8)67(37-25-16-13-17-26-37)49(64-52)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)50-65-53(3,4)56(9,10)68(50)38-27-18-14-19-28-38)63-48(62-46)42-33-24-36-45(60-42)51-66-54(5,6)57(11,12)69(51)39-29-20-15-21-30-39;1-52(2)55(7,8)67(49(64-52)37-25-16-13-17-26-37)43-34-22-31-40(58-43)46-61-47(41-32-23-35-44(59-41)68-50(38-27-18-14-19-28-38)65-53(3,4)56(68,9)10)63-48(62-46)42-33-24-36-45(60-42)69-51(39-29-20-15-21-30-39)66-54(5,6)57(69,11)12;1-25-49-37(4,5)40(10,11)52(25)31-22-16-19-28(43-31)34-46-35(29-20-17-23-32(44-29)53-26(2)50-38(6,7)41(53,12)13)48-36(47-34)30-21-18-24-33(45-30)54-27(3)51-39(8,9)42(54,14)15;1-34(2)37(7,8)49-31(46-34)25-19-13-16-22(40-25)28-43-29(23-17-14-20-26(41-23)32-47-35(3,4)38(9,10)50-32)45-30(44-28)24-18-15-21-27(42-24)33-48-36(5,6)39(11,12)51-33;1-31(2)16-43-28(40-31)22-13-7-10-19(34-22)25-37-26(20-11-8-14-23(35-20)29-41-32(3,4)17-44-29)39-27(38-25)21-12-9-15-24(36-21)30-42-33(5,6)18-45-30;1-2-17(10-18(3-1)26-31-4-7-37-26)23-34-24(19-11-21(15-29-13-19)27-32-5-8-38-27)36-25(35-23)20-12-22(16-30-14-20)28-33-6-9-39-28/h2*13-36H,1-12H3;16-24H,1-15H3;13-21H,1-12H3;7-15H,16-18H2,1-6H3;1-3,10-16H,4-9H2.
What are the key properties of 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine?
2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine has a molecular weight of 4459.84 g/mol, XLogP of 50.58, 42 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[6-[4,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]-1,3,5-triazine;2,4,6-tris[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 158538397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).