bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate

C212H320N16O40 — CID 160628232

About bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate

bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate (PubChem CID 160628232) has the molecular formula C212H320N16O40 and a molecular weight of 3732.96 g/mol. Its IUPAC name is bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate.

Molecular Properties

• Compound Name: bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate
• PubChem CID: 160628232
• Molecular Formula: C212H320N16O40
• Molecular Weight: 3732.96 g/mol
• Exact Mass: 3730.35
• IUPAC Name: bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate
• SMILES: CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(C)C2(C)C)C1(C)C
• InChI: InChI=1S/C56H86N4O8.2C52H78N4O12.C52H78N4O8/c1-49(2)27-37(53(9,10)57(49)17)31-65-45(61)41-23-21-35(25-43(41)47(63)67-33-39-29-51(5,6)59(19)55(39,13)14)36-22-24-42(46(62)66-32-38-28-50(3,4)58(18)54(38,11)12)44(26-36)48(64)68-34-40-30-52(7,8)60(20)56(40,15)16;2*1-45(2)23-33(49(9,10)53(45)61)27-65-41(57)37-19-17-31(21-39(37)43(59)67-29-35-25-47(5,6)55(63)51(35,13)14)32-18-20-38(42(58)66-28-34-24-46(3,4)54(62)50(34,11)12)40(22-32)44(60)68-30-36-26-48(7,8)56(64)52(36,15)16;1-45(2)23-33(49(9,10)53-45)27-61-41(57)37-19-17-31(21-39(37)43(59)63-29-35-25-47(5,6)55-51(35,13)14)32-18-20-38(42(58)62-28-34-24-46(3,4)54-50(34,11)12)40(22-32)44(60)64-30-36-26-48(7,8)56-52(36,15)16/h21-26,37-40H,27-34H2,1-20H3;2*17-22,33-36,61-64H,23-30H2,1-16H3;17-22,33-36,53-56H,23-30H2,1-16H3
• InChIKey: VTIPJOZUWSPALK-UHFFFAOYSA-N
• XLogP: 36.77
• TPSA: 669.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 56
• Rotatable Bonds: 52
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3732.96
LogP ≤ 5	36.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate?

The IUPAC name of bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate (CID 160628232) is bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate.

What is the SMILES notation for bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate?

The canonical SMILES for bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate is CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.CC1(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)c2ccc(-c3ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c3)cc2C(=O)OCC2CC(C)(C)N(C)C2(C)C)C1(C)C.

What is the InChIKey of bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate?

The InChIKey is VTIPJOZUWSPALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H86N4O8.2C52H78N4O12.C52H78N4O8/c1-49(2)27-37(53(9,10)57(49)17)31-65-45(61)41-23-21-35(25-43(41)47(63)67-33-39-29-51(5,6)59(19)55(39,13)14)36-22-24-42(46(62)66-32-38-28-50(3,4)58(18)54(38,11)12)44(26-36)48(64)68-34-40-30-52(7,8)60(20)56(40,15)16;2*1-45(2)23-33(49(9,10)53(45)61)27-65-41(57)37-19-17-31(21-39(37)43(59)67-29-35-25-47(5,6)55(63)51(35,13)14)32-18-20-38(42(58)66-28-34-24-46(3,4)54(62)50(34,11)12)40(22-32)44(60)68-30-36-26-48(7,8)56(64)52(36,15)16;1-45(2)23-33(49(9,10)53-45)27-61-41(57)37-19-17-31(21-39(37)43(59)63-29-35-25-47(5,6)55-51(35,13)14)32-18-20-38(42(58)62-28-34-24-46(3,4)54-50(34,11)12)40(22-32)44(60)64-30-36-26-48(7,8)56-52(36,15)16/h21-26,37-40H,27-34H2,1-20H3;2*17-22,33-36,61-64H,23-30H2,1-16H3;17-22,33-36,53-56H,23-30H2,1-16H3.

What are the key properties of bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate?

bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate has a molecular weight of 3732.96 g/mol, XLogP of 36.77, 52 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate is sourced from PubChem (CID 160628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).