1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine

C246H366N40O18S3 — CID 158217905

IUPAC1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine
SMILESCC(C)CC(=O)N1CCC(N2CCN(c3nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)n3)CC2)CC1.CC(C)CC(=O)N1CCC(Nc2nc(NC3CCN(C(=O)CC(C)C)CC3)nc(NC3CCN(C(=O)CC(C)C)CC3)n2)CC1.CC(C)CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)n3)cc2)CC1.CC(C)CCS(=O)(=O)N1CN(S(=O)(=O)CCC(C)C)CN(S(=O)(=O)CCC(C)C)C1.CC(C)Cc1ccc(-c2nc(-c3ccc(CC(C)C)cc3)nc(-c3ccc(CC(C)C)cc3)n2)cc1.CC(C)Cc1ccc(C(=O)N2CN(C(=O)c3ccc(CC(C)C)cc3)CN(C(=O)c3ccc(CC(C)C)cc3)C2)cc1.CC(C)Cc1ccc(CN(Cc2ccc(CC(C)C)cc2)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C48H63N9O3.C45H78N12O3.C36H45N3O3.C33H57N9O3.C33H39N3.C33H45N.C18H39N3O6S3/c1-34(2)31-43(58)55-25-19-52(20-26-55)40-13-7-37(8-14-40)46-49-47(38-9-15-41(16-10-38)53-21-27-56(28-22-53)44(59)32-35(3)4)51-48(50-46)39-11-17-42(18-12-39)54-23-29-57(30-24-54)45(60)33-36(5)6;1-34(2)31-40(58)52-13-7-37(8-14-52)49-19-25-55(26-20-49)43-46-44(56-27-21-50(22-28-56)38-9-15-53(16-10-38)41(59)32-35(3)4)48-45(47-43)57-29-23-51(24-30-57)39-11-17-54(18-12-39)42(60)33-36(5)6;1-25(2)19-28-7-13-31(14-8-28)34(40)37-22-38(35(41)32-15-9-29(10-16-32)20-26(3)4)24-39(23-37)36(42)33-17-11-30(12-18-33)21-27(5)6;1-22(2)19-28(43)40-13-7-25(8-14-40)34-31-37-32(35-26-9-15-41(16-10-26)29(44)20-23(3)4)39-33(38-31)36-27-11-17-42(18-12-27)30(45)21-24(5)6;1-22(2)19-25-7-13-28(14-8-25)31-34-32(29-15-9-26(10-16-29)20-23(3)4)36-33(35-31)30-17-11-27(12-18-30)21-24(5)6;1-25(2)19-28-7-13-31(14-8-28)22-34(23-32-15-9-29(10-16-32)20-26(3)4)24-33-17-11-30(12-18-33)21-27(5)6;1-16(2)7-10-28(22,23)19-13-20(29(24,25)11-8-17(3)4)15-21(14-19)30(26,27)12-9-18(5)6/h7-18,34-36H,19-33H2,1-6H3;34-39H,7-33H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;22-27H,7-21H2,1-6H3,(H3,34,35,36,37,38,39);7-18,22-24H,19-21H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;16-18H,7-15H2,1-6H3
InChIKeyGCWREURYALYZQF-UHFFFAOYSA-N
MW4268.10 g/mol
LogP40.28
Rot. Bonds78

About 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine

1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine (PubChem CID 158217905) has the molecular formula C246H366N40O18S3 and a molecular weight of 4268.10 g/mol. Its IUPAC name is 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine
PubChem CID158217905
Molecular FormulaC246H366N40O18S3
Molecular Weight4268.10 g/mol
Exact Mass4264.81
IUPAC Name1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine
SMILESCC(C)CC(=O)N1CCC(N2CCN(c3nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)n3)CC2)CC1.CC(C)CC(=O)N1CCC(Nc2nc(NC3CCN(C(=O)CC(C)C)CC3)nc(NC3CCN(C(=O)CC(C)C)CC3)n2)CC1.CC(C)CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)n3)cc2)CC1.CC(C)CCS(=O)(=O)N1CN(S(=O)(=O)CCC(C)C)CN(S(=O)(=O)CCC(C)C)C1.CC(C)Cc1ccc(-c2nc(-c3ccc(CC(C)C)cc3)nc(-c3ccc(CC(C)C)cc3)n2)cc1.CC(C)Cc1ccc(C(=O)N2CN(C(=O)c3ccc(CC(C)C)cc3)CN(C(=O)c3ccc(CC(C)C)cc3)C2)cc1.CC(C)Cc1ccc(CN(Cc2ccc(CC(C)C)cc2)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C48H63N9O3.C45H78N12O3.C36H45N3O3.C33H57N9O3.C33H39N3.C33H45N.C18H39N3O6S3/c1-34(2)31-43(58)55-25-19-52(20-26-55)40-13-7-37(8-14-40)46-49-47(38-9-15-41(16-10-38)53-21-27-56(28-22-53)44(59)32-35(3)4)51-48(50-46)39-11-17-42(18-12-39)54-23-29-57(30-24-54)45(60)33-36(5)6;1-34(2)31-40(58)52-13-7-37(8-14-52)49-19-25-55(26-20-49)43-46-44(56-27-21-50(22-28-56)38-9-15-53(16-10-38)41(59)32-35(3)4)48-45(47-43)57-29-23-51(24-30-57)39-11-17-54(18-12-39)42(60)33-36(5)6;1-25(2)19-28-7-13-31(14-8-28)34(40)37-22-38(35(41)32-15-9-29(10-16-32)20-26(3)4)24-39(23-37)36(42)33-17-11-30(12-18-33)21-27(5)6;1-22(2)19-28(43)40-13-7-25(8-14-40)34-31-37-32(35-26-9-15-41(16-10-26)29(44)20-23(3)4)39-33(38-31)36-27-11-17-42(18-12-27)30(45)21-24(5)6;1-22(2)19-25-7-13-28(14-8-25)31-34-32(29-15-9-26(10-16-29)20-23(3)4)36-33(35-31)30-17-11-27(12-18-30)21-24(5)6;1-25(2)19-28-7-13-31(14-8-28)22-34(23-32-15-9-29(10-16-32)20-26(3)4)24-33-17-11-30(12-18-33)21-27(5)6;1-16(2)7-10-28(22,23)19-13-20(29(24,25)11-8-17(3)4)15-21(14-19)30(26,27)12-9-18(5)6/h7-18,34-36H,19-33H2,1-6H3;34-39H,7-33H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;22-27H,7-21H2,1-6H3,(H3,34,35,36,37,38,39);7-18,22-24H,19-21H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;16-18H,7-15H2,1-6H3
InChIKeyGCWREURYALYZQF-UHFFFAOYSA-N
XLogP40.28
TPSA579.03 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds78
Heavy Atoms307
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004268.10
LogP ≤ 540.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine?
The IUPAC name of 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine (CID 158217905) is 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine is CC(C)CC(=O)N1CCC(N2CCN(c3nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)nc(N4CCN(C5CCN(C(=O)CC(C)C)CC5)CC4)n3)CC2)CC1.CC(C)CC(=O)N1CCC(Nc2nc(NC3CCN(C(=O)CC(C)C)CC3)nc(NC3CCN(C(=O)CC(C)C)CC3)n2)CC1.CC(C)CC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)n3)cc2)CC1.CC(C)CCS(=O)(=O)N1CN(S(=O)(=O)CCC(C)C)CN(S(=O)(=O)CCC(C)C)C1.CC(C)Cc1ccc(-c2nc(-c3ccc(CC(C)C)cc3)nc(-c3ccc(CC(C)C)cc3)n2)cc1.CC(C)Cc1ccc(C(=O)N2CN(C(=O)c3ccc(CC(C)C)cc3)CN(C(=O)c3ccc(CC(C)C)cc3)C2)cc1.CC(C)Cc1ccc(CN(Cc2ccc(CC(C)C)cc2)Cc2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine?
The InChIKey is GCWREURYALYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H63N9O3.C45H78N12O3.C36H45N3O3.C33H57N9O3.C33H39N3.C33H45N.C18H39N3O6S3/c1-34(2)31-43(58)55-25-19-52(20-26-55)40-13-7-37(8-14-40)46-49-47(38-9-15-41(16-10-38)53-21-27-56(28-22-53)44(59)32-35(3)4)51-48(50-46)39-11-17-42(18-12-39)54-23-29-57(30-24-54)45(60)33-36(5)6;1-34(2)31-40(58)52-13-7-37(8-14-52)49-19-25-55(26-20-49)43-46-44(56-27-21-50(22-28-56)38-9-15-53(16-10-38)41(59)32-35(3)4)48-45(47-43)57-29-23-51(24-30-57)39-11-17-54(18-12-39)42(60)33-36(5)6;1-25(2)19-28-7-13-31(14-8-28)34(40)37-22-38(35(41)32-15-9-29(10-16-32)20-26(3)4)24-39(23-37)36(42)33-17-11-30(12-18-33)21-27(5)6;1-22(2)19-28(43)40-13-7-25(8-14-40)34-31-37-32(35-26-9-15-41(16-10-26)29(44)20-23(3)4)39-33(38-31)36-27-11-17-42(18-12-27)30(45)21-24(5)6;1-22(2)19-25-7-13-28(14-8-25)31-34-32(29-15-9-26(10-16-29)20-23(3)4)36-33(35-31)30-17-11-27(12-18-30)21-24(5)6;1-25(2)19-28-7-13-31(14-8-28)22-34(23-32-15-9-29(10-16-32)20-26(3)4)24-33-17-11-30(12-18-33)21-27(5)6;1-16(2)7-10-28(22,23)19-13-20(29(24,25)11-8-17(3)4)15-21(14-19)30(26,27)12-9-18(5)6/h7-18,34-36H,19-33H2,1-6H3;34-39H,7-33H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;22-27H,7-21H2,1-6H3,(H3,34,35,36,37,38,39);7-18,22-24H,19-21H2,1-6H3;7-18,25-27H,19-24H2,1-6H3;16-18H,7-15H2,1-6H3.
What are the key properties of 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine?
1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine has a molecular weight of 4268.10 g/mol, XLogP of 40.28, 78 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4,6-bis[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]piperazin-1-yl]-3-methylbutan-1-one;1-[4-[[4,6-bis[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[4-[4,6-bis[4-[1-(3-methylbutanoyl)piperidin-4-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one;[3,5-bis[4-(2-methylpropyl)benzoyl]-1,3,5-triazinan-1-yl]-[4-(2-methylpropyl)phenyl]methanone;1-[4-(2-methylpropyl)phenyl]-N,N-bis[[4-(2-methylpropyl)phenyl]methyl]methanamine;1,3,5-tris(3-methylbutylsulfonyl)-1,3,5-triazinane;2,4,6-tris[4-(2-methylpropyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158217905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).