2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

C233H349N15O26S2 — CID 158744505

IUPAC2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(Cn2nc3ccccc3n2)c1.CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1.CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(Cn2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C48H69N3O6.C40H64N2O4.C40H62O6.C33H56N4OS2.C21H27N3O.C19H30O3.C18H28O3.C14H13N3O2/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18;1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8;1-20(2,3)14-21(4,5)16-10-11-19(25)15(12-16)13-24-22-17-8-6-7-9-18(17)23-24;1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6;1-9-6-13(18)10(14(19)7-9)8-17-15-11-4-2-3-5-12(11)16-17/h19-24,52-54H,25-27H2,1-18H3;23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44);23-26,43-44H,13-22H2,1-12H3;23-24,38H,9-22H2,1-8H3,(H,34,35,36,37);6-12,25H,13-14H2,1-5H3;11-12,21H,8-10H2,1-7H3;10-11,20H,8-9H2,1-7H3;2-7,18-19H,8H2,1H3
InChIKeyIMSDQIUQUXJHRM-UHFFFAOYSA-N
MW3840.57 g/mol
LogP53.86
Rot. Bonds63

About 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 158744505) has the molecular formula C233H349N15O26S2 and a molecular weight of 3840.57 g/mol. Its IUPAC name is 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID158744505
Molecular FormulaC233H349N15O26S2
Molecular Weight3840.57 g/mol
Exact Mass3837.59
IUPAC Name2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(Cn2nc3ccccc3n2)c1.CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1.CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(Cn2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C48H69N3O6.C40H64N2O4.C40H62O6.C33H56N4OS2.C21H27N3O.C19H30O3.C18H28O3.C14H13N3O2/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18;1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8;1-20(2,3)14-21(4,5)16-10-11-19(25)15(12-16)13-24-22-17-8-6-7-9-18(17)23-24;1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6;1-9-6-13(18)10(14(19)7-9)8-17-15-11-4-2-3-5-12(11)16-17/h19-24,52-54H,25-27H2,1-18H3;23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44);23-26,43-44H,13-22H2,1-12H3;23-24,38H,9-22H2,1-8H3,(H,34,35,36,37);6-12,25H,13-14H2,1-5H3;11-12,21H,8-10H2,1-7H3;10-11,20H,8-9H2,1-7H3;2-7,18-19H,8H2,1H3
InChIKeyIMSDQIUQUXJHRM-UHFFFAOYSA-N
XLogP53.86
TPSA604.51 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds63
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003840.57
LogP ≤ 553.86
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Analyze 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Launch Full Analysis

Related Compounds

2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(benzotriazol-2-yl)-4-methylphenol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)pentyl]propanedioate;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 158810180
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 163951808
2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-dodecoxypropan-2-ol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-tridecoxypropan-2-ol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
CID 159269389
N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 164990017
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 158452826
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 22445844
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroperoxyphenyl]propanoate
CID 151706336
octyl 3-(3-tert-butyl-4-hydroxy-5-phenylphenyl)propanoate
CID 140971201
2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-(methoxycarbonylamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3,5-bis[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxymethyl]-2-ethylbutanoic acid
CID 160987294

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione (CID 158744505) is 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione is CC(C)(C)CC(C)(C)c1ccc(O)c(Cn2nc3ccccc3n2)c1.CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1.CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(O)c(Cn2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IMSDQIUQUXJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H69N3O6.C40H64N2O4.C40H62O6.C33H56N4OS2.C21H27N3O.C19H30O3.C18H28O3.C14H13N3O2/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18;1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8;1-20(2,3)14-21(4,5)16-10-11-19(25)15(12-16)13-24-22-17-8-6-7-9-18(17)23-24;1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6;1-9-6-13(18)10(14(19)7-9)8-17-15-11-4-2-3-5-12(11)16-17/h19-24,52-54H,25-27H2,1-18H3;23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44);23-26,43-44H,13-22H2,1-12H3;23-24,38H,9-22H2,1-8H3,(H,34,35,36,37);6-12,25H,13-14H2,1-5H3;11-12,21H,8-10H2,1-7H3;10-11,20H,8-9H2,1-7H3;2-7,18-19H,8H2,1H3.
What are the key properties of 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione?
2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 3840.57 g/mol, XLogP of 53.86, 63 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-ylmethyl)-5-methylbenzene-1,3-diol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).