About tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate
tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate (PubChem CID 158012283) has the molecular formula C317H505N23O64
and a molecular weight of 5662.62 g/mol. Its IUPAC name is tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate.
Frequently Asked Questions
What is the IUPAC name of tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate?
The IUPAC name of tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate (CID 158012283) is tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate.
What is the SMILES notation for tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate?
The canonical SMILES for tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate is 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.CC1(C)CC(COC(=O)c2ccc(Oc3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(Oc3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2ccc(Oc3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.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)NC4(C)C)c23)C1(C)C.CN1C(C)(C)CC(COC(=O)c2ccc(Oc3ccc(C(=O)OCC4CC(C)(C)NC4(C)C)c(C(=O)OCC4CC(C)(C)NC4(C)C)c3)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO.O.O.O.O.O.O.O.O.
What is the InChIKey of tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate?
The InChIKey is IESBWUFFSAVLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H80N4O9.C53H82N4O8.3C52H78N4O9.C51H77N3O8.4CH4O.8H2O/c1-46(2)24-32(50(9,10)54-46)28-62-42(58)38-20-18-36(22-40(38)44(60)63-29-33-25-47(3,4)55-51(33,11)12)66-37-19-21-39(43(59)65-31-35-27-49(7,8)57(17)53(35,15)16)41(23-37)45(61)64-30-34-26-48(5,6)56-52(34,13)14;1-46(2)24-32(50(9,10)54-46)28-62-42(58)36-20-21-38(44(60)64-30-34-26-48(5,6)56(18)52(34,13)14)41-39(45(61)65-31-35-27-49(7,8)57(19)53(35,15)16)23-22-37(40(36)41)43(59)63-29-33-25-47(3,4)55(17)51(33,11)12;3*1-45(2)23-31(49(9,10)53-45)27-61-41(57)37-19-17-35(21-39(37)43(59)63-29-33-25-47(5,6)55-51(33,13)14)65-36-18-20-38(42(58)62-28-32-24-46(3,4)54-50(32,11)12)40(22-36)44(60)64-30-34-26-48(7,8)56-52(34,15)16;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;4*1-2;;;;;;;;/h18-23,32-35,54-56H,24-31H2,1-17H3;20-23,32-35,54H,24-31H2,1-19H3;3*17-22,31-34,53-56H,23-30H2,1-16H3;17-20,30-33,52-54H,21-29H2,1-16H3;4*2H,1H3;8*1H2.
What are the key properties of tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate?
tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate has a molecular weight of 5662.62 g/mol, XLogP of 45.86, 80 rotatable bonds, 23 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;methanol;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[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;octahydrate is sourced from PubChem (CID 158012283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).