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

C273H291N45O3S6 — CID 159045220

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

2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine (PubChem CID 159045220) has the molecular formula C273H291N45O3S6 and a molecular weight of 4443.04 g/mol. Its IUPAC name is 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine
• PubChem CID: 159045220
• Molecular Formula: C273H291N45O3S6
• Molecular Weight: 4443.04 g/mol
• Exact Mass: 4439.23
• IUPAC Name: 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)CSC(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)CS5)cc4)nc(-c4ccc(C5=NC(C)(C)CS5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)cc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)cc4)n3)cc2)SC1(C)C.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cc4)nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cc4)n3)cc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1.c1cc(C2=NCCO2)cc(-c2nc(-c3cccc(C4=NCCO4)c3)nc(-c3cccc(C4=NCCO4)c3)n2)c1
• InChI: InChI=1S/2C60H63N9.C45H57N9.C42H48N6S3.C36H36N6S3.C30H24N6O3/c1-55(2)58(7,8)67(46-22-16-13-17-23-46)52(64-55)43-34-28-40(29-35-43)49-61-50(41-30-36-44(37-31-41)53-65-56(3,4)59(9,10)68(53)47-24-18-14-19-25-47)63-51(62-49)42-32-38-45(39-33-42)54-66-57(5,6)60(11,12)69(54)48-26-20-15-21-27-48;1-55(2)58(7,8)67(52(64-55)43-22-16-13-17-23-43)46-34-28-40(29-35-46)49-61-50(41-30-36-47(37-31-41)68-53(44-24-18-14-19-25-44)65-56(3,4)59(68,9)10)63-51(62-49)42-32-38-48(39-33-42)69-54(45-26-20-15-21-27-45)66-57(5,6)60(69,11)12;1-28-49-40(4,5)43(10,11)52(28)34-22-16-31(17-23-34)37-46-38(32-18-24-35(25-19-32)53-29(2)50-41(6,7)44(53,12)13)48-39(47-37)33-20-26-36(27-21-33)54-30(3)51-42(8,9)45(54,14)15;1-37(2)40(7,8)49-34(46-37)28-19-13-25(14-20-28)31-43-32(26-15-21-29(22-16-26)35-47-38(3,4)41(9,10)50-35)45-33(44-31)27-17-23-30(24-18-27)36-48-39(5,6)42(11,12)51-36;1-34(2)19-43-31(40-34)25-13-7-22(8-14-25)28-37-29(23-9-15-26(16-10-23)32-41-35(3,4)20-44-32)39-30(38-28)24-11-17-27(18-12-24)33-42-36(5,6)21-45-33;1-4-19(16-22(7-1)28-31-10-13-37-28)25-34-26(20-5-2-8-23(17-20)29-32-11-14-38-29)36-27(35-25)21-6-3-9-24(18-21)30-33-12-15-39-30/h2*13-39H,1-12H3;16-27H,1-15H3;13-24H,1-12H3;7-18H,19-21H2,1-6H3;1-9,16-18H,10-15H2
• InChIKey: JWOKQBYXKDLBCB-UHFFFAOYSA-N
• XLogP: 60.86
• TPSA: 511.35 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 42
• Heavy Atoms: 327
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4443.04
LogP ≤ 5	60.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine (CID 159045220) is 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine is CC1(C)CSC(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)CS5)cc4)nc(-c4ccc(C5=NC(C)(C)CS5)cc4)n3)cc2)=N1.CC1(C)N=C(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)n3)cc2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)cc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)cc4)n3)cc2)SC1(C)C.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cc4)nc(-c4ccc(N5C(c6ccccc6)=NC(C)(C)C5(C)C)cc4)n3)cc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)nc(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)n2)cc1.c1cc(C2=NCCO2)cc(-c2nc(-c3cccc(C4=NCCO4)c3)nc(-c3cccc(C4=NCCO4)c3)n2)c1.

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

The InChIKey is JWOKQBYXKDLBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H63N9.C45H57N9.C42H48N6S3.C36H36N6S3.C30H24N6O3/c1-55(2)58(7,8)67(46-22-16-13-17-23-46)52(64-55)43-34-28-40(29-35-43)49-61-50(41-30-36-44(37-31-41)53-65-56(3,4)59(9,10)68(53)47-24-18-14-19-25-47)63-51(62-49)42-32-38-45(39-33-42)54-66-57(5,6)60(11,12)69(54)48-26-20-15-21-27-48;1-55(2)58(7,8)67(52(64-55)43-22-16-13-17-23-43)46-34-28-40(29-35-46)49-61-50(41-30-36-47(37-31-41)68-53(44-24-18-14-19-25-44)65-56(3,4)59(68,9)10)63-51(62-49)42-32-38-48(39-33-42)69-54(45-26-20-15-21-27-45)66-57(5,6)60(69,11)12;1-28-49-40(4,5)43(10,11)52(28)34-22-16-31(17-23-34)37-46-38(32-18-24-35(25-19-32)53-29(2)50-41(6,7)44(53,12)13)48-39(47-37)33-20-26-36(27-21-33)54-30(3)51-42(8,9)45(54,14)15;1-37(2)40(7,8)49-34(46-37)28-19-13-25(14-20-28)31-43-32(26-15-21-29(22-16-26)35-47-38(3,4)41(9,10)50-35)45-33(44-31)27-17-23-30(24-18-27)36-48-39(5,6)42(11,12)51-36;1-34(2)19-43-31(40-34)25-13-7-22(8-14-25)28-37-29(23-9-15-26(16-10-23)32-41-35(3,4)20-44-32)39-30(38-28)24-11-17-27(18-12-24)33-42-36(5,6)21-45-33;1-4-19(16-22(7-1)28-31-10-13-37-28)25-34-26(20-5-2-8-23(17-20)29-32-11-14-38-29)36-27(35-25)21-6-3-9-24(18-21)30-33-12-15-39-30/h2*13-39H,1-12H3;16-27H,1-15H3;13-24H,1-12H3;7-18H,19-21H2,1-6H3;1-9,16-18H,10-15H2.

What are the key properties of 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine?

2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 4443.04 g/mol, XLogP of 60.86, 42 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[4,6-bis[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-[4-[4,6-bis[4-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159045220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).