tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate

C155H239N11O28 — CID 160712295

About tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate

tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate (PubChem CID 160712295) has the molecular formula C155H239N11O28 and a molecular weight of 2704.67 g/mol. Its IUPAC name is tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate.

Molecular Properties

• Compound Name: tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate
• PubChem CID: 160712295
• Molecular Formula: C155H239N11O28
• Molecular Weight: 2704.67 g/mol
• Exact Mass: 2702.76
• IUPAC Name: tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate
• SMILES: CC1(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c23)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)NC3(C)C)c3c(C(=O)OCC4CC(C)(C)NC4(C)C)ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c23)C(C)(C)C1.CN1C(C)(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(C)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(C)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c23)C1(C)C.O
• InChI: InChI=1S/C54H84N4O8.C51H77N3O8.C50H76N4O11.H2O/c1-47(2)25-33(51(9,10)55(47)17)29-63-43(59)37-21-22-39(45(61)65-31-35-27-49(5,6)57(19)53(35,13)14)42-40(46(62)66-32-36-28-50(7,8)58(20)54(36,15)16)24-23-38(41(37)42)44(60)64-30-34-26-48(3,4)56(18)52(34,11)12;1-44(2)21-30(45(3,4)29-44)25-59-40(55)34-17-18-36(42(57)61-27-32-23-47(7,8)53-50(32,13)14)39-37(43(58)62-28-33-24-48(9,10)54-51(33,15)16)20-19-35(38(34)39)41(56)60-26-31-22-46(5,6)52-49(31,11)12;1-43(2)21-29(47(9,10)51-43)25-62-39(55)33-17-18-35(41(57)64-27-31-23-45(5,6)53(60)49(31,13)14)38-36(42(58)65-28-32-24-46(7,8)54(61)50(32,15)16)20-19-34(37(33)38)40(56)63-26-30-22-44(3,4)52(59)48(30,11)12;/h21-24,33-36H,25-32H2,1-20H3;17-20,30-33,52-54H,21-29H2,1-16H3;17-20,29-32,51,59-61H,21-28H2,1-16H3;1H2
• InChIKey: SDDBVFPDPINNJQ-UHFFFAOYSA-N
• XLogP: 26.55
• TPSA: 478.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.67
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate?

The IUPAC name of tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate (CID 160712295) is tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate.

What is the SMILES notation for tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate?

The canonical SMILES for tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate is CC1(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(O)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(O)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(O)C4(C)C)c23)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)NC3(C)C)c3c(C(=O)OCC4CC(C)(C)NC4(C)C)ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c23)C(C)(C)C1.CN1C(C)(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(C)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(C)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c23)C1(C)C.O.

What is the InChIKey of tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate?

The InChIKey is SDDBVFPDPINNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H84N4O8.C51H77N3O8.C50H76N4O11.H2O/c1-47(2)25-33(51(9,10)55(47)17)29-63-43(59)37-21-22-39(45(61)65-31-35-27-49(5,6)57(19)53(35,13)14)42-40(46(62)66-32-36-28-50(7,8)58(20)54(36,15)16)24-23-38(41(37)42)44(60)64-30-34-26-48(3,4)56(18)52(34,11)12;1-44(2)21-30(45(3,4)29-44)25-59-40(55)34-17-18-36(42(57)61-27-32-23-47(7,8)53-50(32,13)14)39-37(43(58)62-28-33-24-48(9,10)54-51(33,15)16)20-19-35(38(34)39)41(56)60-26-31-22-46(5,6)52-49(31,11)12;1-43(2)21-29(47(9,10)51-43)25-62-39(55)33-17-18-35(41(57)64-27-31-23-45(5,6)53(60)49(31,13)14)38-36(42(58)65-28-32-24-46(7,8)54(61)50(32,15)16)20-19-34(37(33)38)40(56)63-26-30-22-44(3,4)52(59)48(30,11)12;/h21-24,33-36H,25-32H2,1-20H3;17-20,30-33,52-54H,21-29H2,1-16H3;17-20,29-32,51,59-61H,21-28H2,1-16H3;1H2.

What are the key properties of tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate?

tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate has a molecular weight of 2704.67 g/mol, XLogP of 26.55, 36 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;8-O-[(2,2,4,4-tetramethylcyclopentyl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate is sourced from PubChem (CID 160712295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).