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

C160H242N12O34 — CID 162086354

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

bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate (PubChem CID 162086354) has the molecular formula C160H242N12O34 and a molecular weight of 2877.75 g/mol. Its IUPAC name is bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate
• PubChem CID: 162086354
• Molecular Formula: C160H242N12O34
• Molecular Weight: 2877.75 g/mol
• Exact Mass: 2875.76
• IUPAC Name: bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate
• SMILES: CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)c2)C(C)(C)N1O.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)c2)C(C)(C)N1O.CON1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(OC)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c3)c2)C1(C)C
• InChI: InChI=1S/C56H86N4O10.2C52H78N4O12/c1-49(2)27-41(53(9,10)57(49)17)31-67-45(61)37-21-35(22-38(25-37)46(62)68-32-42-28-50(3,4)58(18)54(42,11)12)36-23-39(47(63)69-33-43-29-51(5,6)59(65-19)55(43,13)14)26-40(24-36)48(64)70-34-44-30-52(7,8)60(66-20)56(44,15)16;2*1-45(2)23-37(49(9,10)53(45)61)27-65-41(57)33-17-31(18-34(21-33)42(58)66-28-38-24-46(3,4)54(62)50(38,11)12)32-19-35(43(59)67-29-39-25-47(5,6)55(63)51(39,13)14)22-36(20-32)44(60)68-30-40-26-48(7,8)56(64)52(40,15)16/h21-26,41-44H,27-34H2,1-20H3;2*17-22,37-40,61-64H,23-30H2,1-16H3
• InChIKey: OBPQKLMZVCSSRX-UHFFFAOYSA-N
• XLogP: 27.99
• TPSA: 534.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 41
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2877.75
LogP ≤ 5	27.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate (CID 162086354) is bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate.

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

The canonical SMILES for bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate is CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)c2)C(C)(C)N1O.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c3)c2)C(C)(C)N1O.CON1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(OC)C3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)cc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c3)c2)C1(C)C.

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

The InChIKey is OBPQKLMZVCSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H86N4O10.2C52H78N4O12/c1-49(2)27-41(53(9,10)57(49)17)31-67-45(61)37-21-35(22-38(25-37)46(62)68-32-42-28-50(3,4)58(18)54(42,11)12)36-23-39(47(63)69-33-43-29-51(5,6)59(65-19)55(43,13)14)26-40(24-36)48(64)70-34-44-30-52(7,8)60(66-20)56(44,15)16;2*1-45(2)23-37(49(9,10)53(45)61)27-65-41(57)33-17-31(18-34(21-33)42(58)66-28-38-24-46(3,4)54(62)50(38,11)12)32-19-35(43(59)67-29-39-25-47(5,6)55(63)51(39,13)14)22-36(20-32)44(60)68-30-40-26-48(7,8)56(64)52(40,15)16/h21-26,41-44H,27-34H2,1-20H3;2*17-22,37-40,61-64H,23-30H2,1-16H3.

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

bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate has a molecular weight of 2877.75 g/mol, XLogP of 27.99, 41 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate);bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 162086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).