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

C252H267N39O9S6 — CID 157489914

IUPAC2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)CN=C(c2cccc(-c3nc(-c4cccc(C5=NCC(C)(C)O5)c4)nc(-c4cccc(C5=NCC(C)(C)O5)c4)n3)c2)O1.CC1(C)COC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CO5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1.CC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)c4)nc(-c4cccc(C5=NC(C)(C)CS5)c4)n3)c2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)n3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C
InChIInChI=1S/C60H63N9.C42H48N6O3.C42H48N6S3.2C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(46-31-16-13-17-32-46)52(64-55)43-28-22-25-40(37-43)49-61-50(41-26-23-29-44(38-41)53-65-56(3,4)59(9,10)68(53)47-33-18-14-19-34-47)63-51(62-49)42-27-24-30-45(39-42)54-66-57(5,6)60(11,12)69(54)48-35-20-15-21-36-48;2*1-37(2)40(7,8)49-34(46-37)28-19-13-16-25(22-28)31-43-32(26-17-14-20-29(23-26)35-47-38(3,4)41(9,10)50-35)45-33(44-31)27-18-15-21-30(24-27)36-48-39(5,6)42(11,12)51-36;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33;1-34(2)19-37-31(43-34)25-13-7-10-22(16-25)28-40-29(23-11-8-14-26(17-23)32-38-20-35(3,4)44-32)42-30(41-28)24-12-9-15-27(18-24)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33/h13-39H,1-12H3;2*13-24H,1-12H3;3*7-18H,19-21H2,1-6H3
InChIKeyBXDNGSISDDXBCH-UHFFFAOYSA-N
MW4178.57 g/mol
LogP55.01
Rot. Bonds39

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

2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine (PubChem CID 157489914) has the molecular formula C252H267N39O9S6 and a molecular weight of 4178.57 g/mol. Its IUPAC name is 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine
PubChem CID157489914
Molecular FormulaC252H267N39O9S6
Molecular Weight4178.57 g/mol
Exact Mass4175.00
IUPAC Name2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)CN=C(c2cccc(-c3nc(-c4cccc(C5=NCC(C)(C)O5)c4)nc(-c4cccc(C5=NCC(C)(C)O5)c4)n3)c2)O1.CC1(C)COC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CO5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1.CC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)c4)nc(-c4cccc(C5=NC(C)(C)CS5)c4)n3)c2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)n3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C
InChIInChI=1S/C60H63N9.C42H48N6O3.C42H48N6S3.2C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(46-31-16-13-17-32-46)52(64-55)43-28-22-25-40(37-43)49-61-50(41-26-23-29-44(38-41)53-65-56(3,4)59(9,10)68(53)47-33-18-14-19-34-47)63-51(62-49)42-27-24-30-45(39-42)54-66-57(5,6)60(11,12)69(54)48-35-20-15-21-36-48;2*1-37(2)40(7,8)49-34(46-37)28-19-13-16-25(22-28)31-43-32(26-17-14-20-29(23-26)35-47-38(3,4)41(9,10)50-35)45-33(44-31)27-18-15-21-30(24-27)36-48-39(5,6)42(11,12)51-36;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33;1-34(2)19-37-31(43-34)25-13-7-10-22(16-25)28-40-29(23-11-8-14-26(17-23)32-38-20-35(3,4)44-32)42-30(41-28)24-12-9-15-27(18-24)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33/h13-39H,1-12H3;2*13-24H,1-12H3;3*7-18H,19-21H2,1-6H3
InChIKeyBXDNGSISDDXBCH-UHFFFAOYSA-N
XLogP55.01
TPSA547.29 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds39
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004178.57
LogP ≤ 555.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine (CID 157489914) is 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine is CC1(C)CN=C(c2cccc(-c3nc(-c4cccc(C5=NCC(C)(C)O5)c4)nc(-c4cccc(C5=NCC(C)(C)O5)c4)n3)c2)O1.CC1(C)COC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CO5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1.CC1(C)CSC(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)CS5)c4)nc(-c4cccc(C5=NC(C)(C)CS5)c4)n3)c2)=N1.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)c4)n3)c2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.CC1(C)N=C(c2cccc(-c3nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)nc(-c4cccc(C5=NC(C)(C)C(C)(C)S5)c4)n3)c2)SC1(C)C.
What is the InChIKey of 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is BXDNGSISDDXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63N9.C42H48N6O3.C42H48N6S3.2C36H36N6O3.C36H36N6S3/c1-55(2)58(7,8)67(46-31-16-13-17-32-46)52(64-55)43-28-22-25-40(37-43)49-61-50(41-26-23-29-44(38-41)53-65-56(3,4)59(9,10)68(53)47-33-18-14-19-34-47)63-51(62-49)42-27-24-30-45(39-42)54-66-57(5,6)60(11,12)69(54)48-35-20-15-21-36-48;2*1-37(2)40(7,8)49-34(46-37)28-19-13-16-25(22-28)31-43-32(26-17-14-20-29(23-26)35-47-38(3,4)41(9,10)50-35)45-33(44-31)27-18-15-21-30(24-27)36-48-39(5,6)42(11,12)51-36;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33;1-34(2)19-37-31(43-34)25-13-7-10-22(16-25)28-40-29(23-11-8-14-26(17-23)32-38-20-35(3,4)44-32)42-30(41-28)24-12-9-15-27(18-24)33-39-21-36(5,6)45-33;1-34(2)19-43-31(40-34)25-13-7-10-22(16-25)28-37-29(23-11-8-14-26(17-23)32-41-35(3,4)20-44-32)39-30(38-28)24-12-9-15-27(18-24)33-42-36(5,6)21-45-33/h13-39H,1-12H3;2*13-24H,1-12H3;3*7-18H,19-21H2,1-6H3.
What are the key properties of 2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine?
2-[3-[4,6-bis[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 4178.57 g/mol, XLogP of 55.01, 39 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-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;2-[3-[4,6-bis[3-(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-[3-[4,6-bis[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[3-[4,6-bis[3-(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[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 157489914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).