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

C140H190N24O32 — CID 160987294

About 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

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 (PubChem CID 160987294) has the molecular formula C140H190N24O32 and a molecular weight of 2721.20 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160987294
• Molecular Formula: C140H190N24O32
• Molecular Weight: 2721.20 g/mol
• Exact Mass: 2719.40
• IUPAC Name: 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
• SMILES: CCC(CC)(COC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O)C(=O)O.COC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O
• InChI: InChI=1S/C73H100N12O17.C67H90N12O15/c1-9-73(10-2,64(90)91)49-102-67(94)76-37-23-13-16-26-40-83-69(96)81(38-24-14-11-21-35-74-65(92)100-43-41-98-60(86)33-31-50-45-52(71(3,4)5)62(88)58(47-50)84-77-54-27-17-18-28-55(54)78-84)68(95)82(70(83)97)39-25-15-12-22-36-75-66(93)101-44-42-99-61(87)34-32-51-46-53(72(6,7)8)63(89)59(48-51)85-79-56-29-19-20-30-57(56)80-85;1-66(2,3)48-42-46(44-54(58(48)82)78-71-50-24-14-15-25-51(50)72-78)28-30-56(80)91-38-40-93-61(85)69-33-19-9-12-22-36-76-63(87)75(35-21-11-8-18-32-68-60(84)90-7)64(88)77(65(76)89)37-23-13-10-20-34-70-62(86)94-41-39-92-57(81)31-29-47-43-49(67(4,5)6)59(83)55(45-47)79-73-52-26-16-17-27-53(52)74-79/h17-20,27-30,45-48,88-89H,9-16,21-26,31-44,49H2,1-8H3,(H,74,92)(H,75,93)(H,76,94)(H,90,91);14-17,24-27,42-45,82-83H,8-13,18-23,28-41H2,1-7H3,(H,68,84)(H,69,85)(H,70,86)
• InChIKey: TUDLMUYZPRZFMA-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 708.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 49
• Rotatable Bonds: 75
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2721.20
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(CC)(COC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O)C(=O)O.COC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O.

What is the InChIKey of 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?

The InChIKey is TUDLMUYZPRZFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H100N12O17.C67H90N12O15/c1-9-73(10-2,64(90)91)49-102-67(94)76-37-23-13-16-26-40-83-69(96)81(38-24-14-11-21-35-74-65(92)100-43-41-98-60(86)33-31-50-45-52(71(3,4)5)62(88)58(47-50)84-77-54-27-17-18-28-55(54)78-84)68(95)82(70(83)97)39-25-15-12-22-36-75-66(93)101-44-42-99-61(87)34-32-51-46-53(72(6,7)8)63(89)59(48-51)85-79-56-29-19-20-30-57(56)80-85;1-66(2,3)48-42-46(44-54(58(48)82)78-71-50-24-14-15-25-51(50)72-78)28-30-56(80)91-38-40-93-61(85)69-33-19-9-12-22-36-76-63(87)75(35-21-11-8-18-32-68-60(84)90-7)64(88)77(65(76)89)37-23-13-10-20-34-70-62(86)94-41-39-92-57(81)31-29-47-43-49(67(4,5)6)59(83)55(45-47)79-73-52-26-16-17-27-53(52)74-79/h17-20,27-30,45-48,88-89H,9-16,21-26,31-44,49H2,1-8H3,(H,74,92)(H,75,93)(H,76,94)(H,90,91);14-17,24-27,42-45,82-83H,8-13,18-23,28-41H2,1-7H3,(H,68,84)(H,69,85)(H,70,86).

What are the key properties of 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?

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 has a molecular weight of 2721.20 g/mol, XLogP of 18.24, 75 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160987294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).