bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C145H245F3N12O28 — CID 161249011

About bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 161249011) has the molecular formula C145H245F3N12O28 and a molecular weight of 2661.60 g/mol. Its IUPAC name is bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• PubChem CID: 161249011
• Molecular Formula: C145H245F3N12O28
• Molecular Weight: 2661.60 g/mol
• Exact Mass: 2659.81
• IUPAC Name: bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
• SMILES: CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)NC3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)cc(C(C)(c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)C(F)(F)F)c2)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO
• InChI: InChI=1S/C55H81F3N4O8.C44H76N4O8.C42H72N4O8.4CH4O/c1-46(2)24-38(50(9,10)59-46)28-67-42(63)32-18-33(43(64)68-29-39-25-47(3,4)60-51(39,11)12)21-36(20-32)54(17,55(56,57)58)37-22-34(44(65)69-30-40-26-48(5,6)61-52(40,13)14)19-35(23-37)45(66)70-31-41-27-49(7,8)62-53(41,15)16;1-37(2)21-25(41(9,10)45-37)33(49)53-29-19-32(56-36(52)28-24-40(7,8)48(18)44(28,15)16)30(54-34(50)26-22-38(3,4)46-42(26,11)12)20-31(29)55-35(51)27-23-39(5,6)47(17)43(27,13)14;1-35(2)19-23(39(9,10)43-35)31(47)51-27-17-29(53-33(49)25-21-37(5,6)45-41(25,13)14)30(54-34(50)26-22-38(7,8)46-42(26,15)16)18-28(27)52-32(48)24-20-36(3,4)44-40(24,11)12;4*1-2/h18-23,38-41,59-62H,24-31H2,1-17H3;25-32,45-46H,19-24H2,1-18H3;23-30,43-46H,17-22H2,1-16H3;4*2H,1H3
• InChIKey: VBADDXUMSIVUJI-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 523.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.60
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The IUPAC name of bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 161249011) is bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

What is the SMILES notation for bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The canonical SMILES for bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)NC3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)cc(C(C)(c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)C(F)(F)F)c2)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO.

What is the InChIKey of bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

The InChIKey is VBADDXUMSIVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H81F3N4O8.C44H76N4O8.C42H72N4O8.4CH4O/c1-46(2)24-38(50(9,10)59-46)28-67-42(63)32-18-33(43(64)68-29-39-25-47(3,4)60-51(39,11)12)21-36(20-32)54(17,55(56,57)58)37-22-34(44(65)69-30-40-26-48(5,6)61-52(40,13)14)19-35(23-37)45(66)70-31-41-27-49(7,8)62-53(41,15)16;1-37(2)21-25(41(9,10)45-37)33(49)53-29-19-32(56-36(52)28-24-40(7,8)48(18)44(28,15)16)30(54-34(50)26-22-38(3,4)46-42(26,11)12)20-31(29)55-35(51)27-23-39(5,6)47(17)43(27,13)14;1-35(2)19-23(39(9,10)43-35)31(47)51-27-17-29(53-33(49)25-21-37(5,6)45-41(25,13)14)30(54-34(50)26-22-38(7,8)46-42(26,15)16)18-28(27)52-32(48)24-20-36(3,4)44-40(24,11)12;4*1-2/h18-23,38-41,59-62H,24-31H2,1-17H3;25-32,45-46H,19-24H2,1-18H3;23-30,43-46H,17-22H2,1-16H3;4*2H,1H3.

What are the key properties of bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?

bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 2661.60 g/mol, XLogP of 19.16, 30 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate;methanol;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 161249011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).