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

C155H237N11O28 — CID 158753644

IUPACtetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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
SMILESCC1(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)N1O.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
InChIInChI=1S/C54H84N4O8.C51H77N3O8.C50H76N4O12/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)59)25-63-39(55)33-17-18-35(41(57)65-27-31-23-45(5,6)53(61)49(31,13)14)38-36(42(58)66-28-32-24-46(7,8)54(62)50(32,15)16)20-19-34(37(33)38)40(56)64-26-30-22-44(3,4)52(60)48(30,11)12/h21-24,33-36H,25-32H2,1-20H3;17-20,30-33,52-54H,21-29H2,1-16H3;17-20,29-32,59-62H,21-28H2,1-16H3
InChIKeyTZJWRVNTBCEZLM-UHFFFAOYSA-N
MW2702.65 g/mol
LogP27.47
Rot. Bonds36

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

tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 (PubChem CID 158753644) has the molecular formula C155H237N11O28 and a molecular weight of 2702.65 g/mol. Its IUPAC name is tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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.

Molecular Properties

Compound Nametetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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
PubChem CID158753644
Molecular FormulaC155H237N11O28
Molecular Weight2702.65 g/mol
Exact Mass2700.75
IUPAC Nametetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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
SMILESCC1(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)N1O.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
InChIInChI=1S/C54H84N4O8.C51H77N3O8.C50H76N4O12/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)59)25-63-39(55)33-17-18-35(41(57)65-27-31-23-45(5,6)53(61)49(31,13)14)38-36(42(58)66-28-32-24-46(7,8)54(62)50(32,15)16)20-19-34(37(33)38)40(56)64-26-30-22-44(3,4)52(60)48(30,11)12/h21-24,33-36H,25-32H2,1-20H3;17-20,30-33,52-54H,21-29H2,1-16H3;17-20,29-32,59-62H,21-28H2,1-16H3
InChIKeyTZJWRVNTBCEZLM-UHFFFAOYSA-N
XLogP27.47
TPSA458.53 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.65
LogP ≤ 527.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 with MolForge

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Related Compounds

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
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;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 158203813
tris(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);bis(4-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 1-O,5-O,8-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate);methane;methanol;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;decahydrate
CID 159007274
Bis(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);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[1,1,1-trifluoro-2-[3-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-5-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]propan-2-yl]benzene-1,3-dicarboxylate;methane;octahydrate
CID 159599531
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;tetrakis[(1-hydroxy-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
CID 160335010
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
CID 138724263
Tetrakis[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 138724265
Tetrakis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 138724466
Tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 138724471
1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 140895293
CID 140895299
CID 140895299
1-O,4-O,5-O-tris[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 140895328

Frequently Asked Questions

What is the IUPAC name of tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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?
The IUPAC name of tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 (CID 158753644) is tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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.
What is the SMILES notation for tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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?
The canonical SMILES for tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 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)N1O.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.
What is the InChIKey of tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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?
The InChIKey is TZJWRVNTBCEZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H84N4O8.C51H77N3O8.C50H76N4O12/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)59)25-63-39(55)33-17-18-35(41(57)65-27-31-23-45(5,6)53(61)49(31,13)14)38-36(42(58)66-28-32-24-46(7,8)54(62)50(32,15)16)20-19-34(37(33)38)40(56)64-26-30-22-44(3,4)52(60)48(30,11)12/h21-24,33-36H,25-32H2,1-20H3;17-20,30-33,52-54H,21-29H2,1-16H3;17-20,29-32,59-62H,21-28H2,1-16H3.
What are the key properties of tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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?
tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 has a molecular weight of 2702.65 g/mol, XLogP of 27.47, 36 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;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 is sourced from PubChem (CID 158753644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).