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

C159H243F3N12O31 — CID 157254173

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

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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate (PubChem CID 157254173) has the molecular formula C159H243F3N12O31 and a molecular weight of 2875.74 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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate.

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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate
• PubChem CID: 157254173
• Molecular Formula: C159H243F3N12O31
• Molecular Weight: 2875.74 g/mol
• Exact Mass: 2873.78
• 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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate
• SMILES: 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.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.CON1C(C)(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(OC)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(OC)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c23)C1(C)C.O
• InChI: InChI=1S/C55H81F3N4O8.C54H84N4O11.C50H76N4O11.H2O/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;1-47(2)25-33(51(9,10)55(47)17)29-66-43(59)37-21-22-39(45(61)68-31-35-27-49(5,6)57(64-19)53(35,13)14)42-40(46(62)69-32-36-28-50(7,8)58(65-20)54(36,15)16)24-23-38(41(37)42)44(60)67-30-34-26-48(3,4)56(63-18)52(34,11)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;/h18-23,38-41,59-62H,24-31H2,1-17H3;21-24,33-36H,25-32H2,1-20H3;17-20,29-32,51,59-61H,21-28H2,1-16H3;1H2
• InChIKey: VIYKLRNHFWKXDL-UHFFFAOYSA-N
• XLogP: 26.76
• TPSA: 518.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.74
LogP ≤ 5	26.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

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

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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate (CID 157254173) 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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate.

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

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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate is 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.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.CON1C(C)(C)CC(COC(=O)c2ccc(C(=O)OCC3CC(C)(C)N(OC)C3(C)C)c3c(C(=O)OCC4CC(C)(C)N(OC)C4(C)C)ccc(C(=O)OCC4CC(C)(C)N(C)C4(C)C)c23)C1(C)C.O.

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

The InChIKey is VIYKLRNHFWKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H81F3N4O8.C54H84N4O11.C50H76N4O11.H2O/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;1-47(2)25-33(51(9,10)55(47)17)29-66-43(59)37-21-22-39(45(61)68-31-35-27-49(5,6)57(64-19)53(35,13)14)42-40(46(62)69-32-36-28-50(7,8)58(65-20)54(36,15)16)24-23-38(41(37)42)44(60)67-30-34-26-48(3,4)56(63-18)52(34,11)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;/h18-23,38-41,59-62H,24-31H2,1-17H3;21-24,33-36H,25-32H2,1-20H3;17-20,29-32,51,59-61H,21-28H2,1-16H3;1H2.

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

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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate has a molecular weight of 2875.74 g/mol, XLogP of 26.76, 41 rotatable bonds, 8 hydrogen bond donors, and 42 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;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;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate is sourced from PubChem (CID 157254173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).