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

C165H251N11O26 — CID 157408791

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

bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate (PubChem CID 157408791) has the molecular formula C165H251N11O26 and a molecular weight of 2804.87 g/mol. Its IUPAC name is bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate
• PubChem CID: 157408791
• Molecular Formula: C165H251N11O26
• Molecular Weight: 2804.87 g/mol
• Exact Mass: 2802.87
• IUPAC Name: bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(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)NC3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)c2)C(C)(C)C1.CN1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(C)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.CON1C(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(OC)C2(C)C)C1(C)C
• InChI: InChI=1S/C56H86N4O10.C56H86N4O8.C53H79N3O8/c1-49(2)27-37(53(9,10)57(49)17)31-67-45(61)41-23-21-35(25-43(41)47(63)69-32-38-28-50(3,4)58(18)54(38,11)12)36-22-24-42(46(62)68-33-39-29-51(5,6)59(65-19)55(39,13)14)44(26-36)48(64)70-34-40-30-52(7,8)60(66-20)56(40,15)16;1-49(2)27-41(53(9,10)57(49)17)31-65-45(61)37-21-35(22-38(25-37)46(62)66-32-42-28-50(3,4)58(18)54(42,11)12)36-23-39(47(63)67-33-43-29-51(5,6)59(19)55(43,13)14)26-40(24-36)48(64)68-34-44-30-52(7,8)60(20)56(44,15)16;1-46(2)23-38(47(3,4)31-46)27-61-42(57)34-17-32(18-35(21-34)43(58)62-28-39-24-48(5,6)54-51(39,11)12)33-19-36(44(59)63-29-40-25-49(7,8)55-52(40,13)14)22-37(20-33)45(60)64-30-41-26-50(9,10)56-53(41,15)16/h21-26,37-40H,27-34H2,1-20H3;21-26,41-44H,27-34H2,1-20H3;17-22,38-41,54-56H,23-31H2,1-16H3
• InChIKey: BOAPGOWVQQSNRD-UHFFFAOYSA-N
• XLogP: 29.84
• TPSA: 396.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2804.87
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate (CID 157408791) is bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate.

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

The canonical SMILES for bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(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)NC3(C)C)cc(-c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)c2)C(C)(C)C1.CN1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)N(C)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.CON1C(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(OC)C2(C)C)C1(C)C.

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

The InChIKey is BOAPGOWVQQSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H86N4O10.C56H86N4O8.C53H79N3O8/c1-49(2)27-37(53(9,10)57(49)17)31-67-45(61)41-23-21-35(25-43(41)47(63)69-32-38-28-50(3,4)58(18)54(38,11)12)36-22-24-42(46(62)68-33-39-29-51(5,6)59(65-19)55(39,13)14)44(26-36)48(64)70-34-40-30-52(7,8)60(66-20)56(40,15)16;1-49(2)27-41(53(9,10)57(49)17)31-65-45(61)37-21-35(22-38(25-37)46(62)66-32-42-28-50(3,4)58(18)54(42,11)12)36-23-39(47(63)67-33-43-29-51(5,6)59(19)55(43,13)14)26-40(24-36)48(64)68-34-44-30-52(7,8)60(20)56(44,15)16;1-46(2)23-38(47(3,4)31-46)27-61-42(57)34-17-32(18-35(21-34)43(58)62-28-39-24-48(5,6)54-51(39,11)12)33-19-36(44(59)63-29-40-25-49(7,8)55-52(40,13)14)22-37(20-33)45(60)64-30-41-26-50(9,10)56-53(41,15)16/h21-26,37-40H,27-34H2,1-20H3;21-26,41-44H,27-34H2,1-20H3;17-22,38-41,54-56H,23-31H2,1-16H3.

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

bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate has a molecular weight of 2804.87 g/mol, XLogP of 29.84, 41 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate;bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate;1-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 3-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 157408791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).