2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate

C146H215N5O32 — CID 159496519

About 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate

2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate (PubChem CID 159496519) has the molecular formula C146H215N5O32 and a molecular weight of 2552.33 g/mol. Its IUPAC name is 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate.

Molecular Properties

• Compound Name: 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate
• PubChem CID: 159496519
• Molecular Formula: C146H215N5O32
• Molecular Weight: 2552.33 g/mol
• Exact Mass: 2550.54
• IUPAC Name: 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate
• SMILES: CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(-n2c(=O)n(-c3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c(=O)n(-c3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c2=O)cc1C(C)(C)C.Cc1cc(CCC(=O)OCCN(CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)CCN(CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC(=O)OC(C)(C)C
• InChI: InChI=1S/C86H128N2O20.C60H87N3O12/c1-55-47-59(51-63(79(5,6)7)71(55)101-75(93)105-83(17,18)19)29-33-67(89)97-43-39-87(40-44-98-68(90)34-30-60-48-56(2)72(64(52-60)80(8,9)10)102-76(94)106-84(20,21)22)37-38-88(41-45-99-69(91)35-31-61-49-57(3)73(65(53-61)81(11,12)13)103-77(95)107-85(23,24)25)42-46-100-70(92)36-32-62-50-58(4)74(66(54-62)82(14,15)16)104-78(96)108-86(26,27)28;1-52(2,3)37-28-34(29-38(53(4,5)6)43(37)70-49(67)73-58(19,20)21)61-46(64)62(35-30-39(54(7,8)9)44(40(31-35)55(10,11)12)71-50(68)74-59(22,23)24)48(66)63(47(61)65)36-32-41(56(13,14)15)45(42(33-36)57(16,17)18)72-51(69)75-60(25,26)27/h47-54H,29-46H2,1-28H3;28-33H,1-27H3
• InChIKey: LYVUWWBOVFVENX-UHFFFAOYSA-N
• XLogP: 31.84
• TPSA: 426.39 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2552.33
LogP ≤ 5	31.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate?

The IUPAC name of 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate (CID 159496519) is 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate.

What is the SMILES notation for 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate?

The canonical SMILES for 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate is CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(-n2c(=O)n(-c3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c(=O)n(-c3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c2=O)cc1C(C)(C)C.Cc1cc(CCC(=O)OCCN(CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)CCN(CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)CCOC(=O)CCc2cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC(=O)OC(C)(C)C.

What is the InChIKey of 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate?

The InChIKey is LYVUWWBOVFVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H128N2O20.C60H87N3O12/c1-55-47-59(51-63(79(5,6)7)71(55)101-75(93)105-83(17,18)19)29-33-67(89)97-43-39-87(40-44-98-68(90)34-30-60-48-56(2)72(64(52-60)80(8,9)10)102-76(94)106-84(20,21)22)37-38-88(41-45-99-69(91)35-31-61-49-57(3)73(65(53-61)81(11,12)13)103-77(95)107-85(23,24)25)42-46-100-70(92)36-32-62-50-58(4)74(66(54-62)82(14,15)16)104-78(96)108-86(26,27)28;1-52(2,3)37-28-34(29-38(53(4,5)6)43(37)70-49(67)73-58(19,20)21)61-46(64)62(35-30-39(54(7,8)9)44(40(31-35)55(10,11)12)71-50(68)74-59(22,23)24)48(66)63(47(61)65)36-32-41(56(13,14)15)45(42(33-36)57(16,17)18)72-51(69)75-60(25,26)27/h47-54H,29-46H2,1-28H3;28-33H,1-27H3.

What are the key properties of 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate?

2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate has a molecular weight of 2552.33 g/mol, XLogP of 31.84, 37 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate is sourced from PubChem (CID 159496519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).