potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate

C174H205Cl2KN10O31Pd2 — CID 160672351

IUPACpotassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate
SMILESC.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([n-]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([nH]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(C=O)cc1.CN(C)C.CO.Cc1ccccc1.Cl[Pd]Cl.O.[K+].[OH-].[Pd+2].c1cc[nH]c1
InChIInChI=1S/C72H78N4O12.C72H76N4O12.C14H18O4.C7H8.C4H5N.C3H9N.CH4O.CH4.2ClH.K.2H2O.2Pd/c2*1-5-81-65(77)17-9-13-45-85-53-29-21-49(22-30-53)69-57-37-39-59(73-57)70(50-23-31-54(32-24-50)86-46-14-10-18-66(78)82-6-2)61-41-43-63(75-61)72(52-27-35-56(36-28-52)88-48-16-12-20-68(80)84-8-4)64-44-42-62(76-64)71(60-40-38-58(69)74-60)51-25-33-55(34-26-51)87-47-15-11-19-67(79)83-7-3;1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13;1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-4(2)3;1-2;;;;;;;;/h21-44,73,76H,5-20,45-48H2,1-4H3;21-44H,5-20,45-48H2,1-4H3;6-9,11H,2-5,10H2,1H3;2-6H,1H3;1-5H;1-3H3;2H,1H3;1H4;2*1H;;2*1H2;;/q;-2;;;;;;;;;+1;;;2*+2/p-3/b2*69-57-,69-58-,70-59-,70-61-,71-60-,71-62-,72-63-,72-64-;;;;;;;;;;;;;
InChIKeyRNBXRWWPQYQBOR-PYDAFLDFSA-K
MW3255.44 g/mol
LogP34.22
Rot. Bonds72

About potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate

potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate (PubChem CID 160672351) has the molecular formula C174H205Cl2KN10O31Pd2 and a molecular weight of 3255.44 g/mol. Its IUPAC name is potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate.

Molecular Properties

Compound Namepotassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate
PubChem CID160672351
Molecular FormulaC174H205Cl2KN10O31Pd2
Molecular Weight3255.44 g/mol
Exact Mass3251.19
IUPAC Namepotassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate
SMILESC.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([n-]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([nH]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(C=O)cc1.CN(C)C.CO.Cc1ccccc1.Cl[Pd]Cl.O.[K+].[OH-].[Pd+2].c1cc[nH]c1
InChIInChI=1S/C72H78N4O12.C72H76N4O12.C14H18O4.C7H8.C4H5N.C3H9N.CH4O.CH4.2ClH.K.2H2O.2Pd/c2*1-5-81-65(77)17-9-13-45-85-53-29-21-49(22-30-53)69-57-37-39-59(73-57)70(50-23-31-54(32-24-50)86-46-14-10-18-66(78)82-6-2)61-41-43-63(75-61)72(52-27-35-56(36-28-52)88-48-16-12-20-68(80)84-8-4)64-44-42-62(76-64)71(60-40-38-58(69)74-60)51-25-33-55(34-26-51)87-47-15-11-19-67(79)83-7-3;1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13;1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-4(2)3;1-2;;;;;;;;/h21-44,73,76H,5-20,45-48H2,1-4H3;21-44H,5-20,45-48H2,1-4H3;6-9,11H,2-5,10H2,1H3;2-6H,1H3;1-5H;1-3H3;2H,1H3;1H4;2*1H;;2*1H2;;/q;-2;;;;;;;;;+1;;;2*+2/p-3/b2*69-57-,69-58-,70-59-,70-61-,71-60-,71-62-,72-63-,72-64-;;;;;;;;;;;;;
InChIKeyRNBXRWWPQYQBOR-PYDAFLDFSA-K
XLogP34.22
TPSA548.94 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds72
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003255.44
LogP ≤ 534.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate?
The IUPAC name of potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate (CID 160672351) is potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate.
What is the SMILES notation for potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate?
The canonical SMILES for potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate is C.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([n-]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCCC(=O)OCC)cc4)c4ccc([nH]4)c(-c4ccc(OCCCCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCCCCC(=O)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.CCOC(=O)CCCCOc1ccc(C=O)cc1.CN(C)C.CO.Cc1ccccc1.Cl[Pd]Cl.O.[K+].[OH-].[Pd+2].c1cc[nH]c1.
What is the InChIKey of potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate?
The InChIKey is RNBXRWWPQYQBOR-PYDAFLDFSA-K. The full InChI is InChI=1S/C72H78N4O12.C72H76N4O12.C14H18O4.C7H8.C4H5N.C3H9N.CH4O.CH4.2ClH.K.2H2O.2Pd/c2*1-5-81-65(77)17-9-13-45-85-53-29-21-49(22-30-53)69-57-37-39-59(73-57)70(50-23-31-54(32-24-50)86-46-14-10-18-66(78)82-6-2)61-41-43-63(75-61)72(52-27-35-56(36-28-52)88-48-16-12-20-68(80)84-8-4)64-44-42-62(76-64)71(60-40-38-58(69)74-60)51-25-33-55(34-26-51)87-47-15-11-19-67(79)83-7-3;1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13;1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-4(2)3;1-2;;;;;;;;/h21-44,73,76H,5-20,45-48H2,1-4H3;21-44H,5-20,45-48H2,1-4H3;6-9,11H,2-5,10H2,1H3;2-6H,1H3;1-5H;1-3H3;2H,1H3;1H4;2*1H;;2*1H2;;/q;-2;;;;;;;;;+1;;;2*+2/p-3/b2*69-57-,69-58-,70-59-,70-61-,71-60-,71-62-,72-63-,72-64-;;;;;;;;;;;;;.
What are the key properties of potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate?
potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate has a molecular weight of 3255.44 g/mol, XLogP of 34.22, 72 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dichloropalladium;N,N-dimethylmethanamine;ethyl 5-(4-formylphenoxy)pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]pentanoate;ethyl 5-[4-[10,15,20-tris[4-(5-ethoxy-5-oxopentoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]pentanoate;methane;methanol;palladium(2+);1H-pyrrole;toluene;hydroxide;hydrate is sourced from PubChem (CID 160672351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).