palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate

C116H130N8O12Pd+2 — CID 87541138

About palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate

palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate (PubChem CID 87541138) has the molecular formula C116H130N8O12Pd+2 and a molecular weight of 1934.78 g/mol. Its IUPAC name is palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate.

Molecular Properties

• Compound Name: palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
• PubChem CID: 87541138
• Molecular Formula: C116H130N8O12Pd+2
• Molecular Weight: 1934.78 g/mol
• Exact Mass: 1932.88
• IUPAC Name: palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
• SMILES: CC1(C)CCCC(C)(C)N1OC(COC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)OCC(ON5C(C)(C)CCCC5(C)C)c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)OCC(ON5C(C)(C)CCCC5(C)C)c5ccccc5)cc4)c4nc(c(-c5ccc(C(=O)OCC(ON6C(C)(C)CCCC6(C)C)c6ccccc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1ccccc1.[Pd+2]
• InChI: InChI=1S/C116H130N8O12.Pd/c1-109(2)65-29-66-110(3,4)121(109)133-97(77-33-21-17-22-34-77)73-129-105(125)85-49-41-81(42-50-85)101-89-57-59-91(117-89)102(82-43-51-86(52-44-82)106(126)130-74-98(78-35-23-18-24-36-78)134-122-111(5,6)67-30-68-112(122,7)8)93-61-63-95(119-93)104(84-47-55-88(56-48-84)108(128)132-76-100(80-39-27-20-28-40-80)136-124-115(13,14)71-32-72-116(124,15)16)96-64-62-94(120-96)103(92-60-58-90(101)118-92)83-45-53-87(54-46-83)107(127)131-75-99(79-37-25-19-26-38-79)135-123-113(9,10)69-31-70-114(123,11)12;/h17-28,33-64,97-100,117,120H,29-32,65-76H2,1-16H3;/q;+2/b101-89-,101-90-,102-91-,102-93-,103-92-,103-94-,104-95-,104-96-
• InChIKey: XXBHWXIZYKHRGZ-MSYQAUPMSA-N
• XLogP: 26.81
• TPSA: 212.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.78
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate?

The IUPAC name of palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate (CID 87541138) is palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate.

What is the SMILES notation for palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate?

The canonical SMILES for palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate is CC1(C)CCCC(C)(C)N1OC(COC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)OCC(ON5C(C)(C)CCCC5(C)C)c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)OCC(ON5C(C)(C)CCCC5(C)C)c5ccccc5)cc4)c4nc(c(-c5ccc(C(=O)OCC(ON6C(C)(C)CCCC6(C)C)c6ccccc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1ccccc1.[Pd+2].

What is the InChIKey of palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate?

The InChIKey is XXBHWXIZYKHRGZ-MSYQAUPMSA-N. The full InChI is InChI=1S/C116H130N8O12.Pd/c1-109(2)65-29-66-110(3,4)121(109)133-97(77-33-21-17-22-34-77)73-129-105(125)85-49-41-81(42-50-85)101-89-57-59-91(117-89)102(82-43-51-86(52-44-82)106(126)130-74-98(78-35-23-18-24-36-78)134-122-111(5,6)67-30-68-112(122,7)8)93-61-63-95(119-93)104(84-47-55-88(56-48-84)108(128)132-76-100(80-39-27-20-28-40-80)136-124-115(13,14)71-32-72-116(124,15)16)96-64-62-94(120-96)103(92-60-58-90(101)118-92)83-45-53-87(54-46-83)107(127)131-75-99(79-37-25-19-26-38-79)135-123-113(9,10)69-31-70-114(123,11)12;/h17-28,33-64,97-100,117,120H,29-32,65-76H2,1-16H3;/q;+2/b101-89-,101-90-,102-91-,102-93-,103-92-,103-94-,104-95-,104-96-;.

What are the key properties of palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate?

palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate has a molecular weight of 1934.78 g/mol, XLogP of 26.81, 28 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate is sourced from PubChem (CID 87541138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).