2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate

C220H292N36O28 — CID 161047910

About 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate

2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate (PubChem CID 161047910) has the molecular formula C220H292N36O28 and a molecular weight of 3888.98 g/mol. Its IUPAC name is 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate.

Molecular Properties

• Compound Name: 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate
• PubChem CID: 161047910
• Molecular Formula: C220H292N36O28
• Molecular Weight: 3888.98 g/mol
• Exact Mass: 3886.25
• IUPAC Name: 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate
• SMILES: CCCCCCCCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2OC)cc1
• InChI: InChI=1S/C64H86N10O8.C58H74N10O8.C52H72N8O6.C46H60N8O6/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-44-81-62(76)64(6,10-2)48-63(4,5)61(75)82-45-43-73(11-3)55-39-35-54(36-40-55)70-72-58-47-59(79-7)57(46-60(58)80-8)71-69-52-33-31-51(32-34-52)66-65-49-27-29-50(30-28-49)67-68-53-37-41-56(42-38-53)74(77)78;1-9-12-13-14-15-16-17-18-19-20-38-75-56(70)58(6,10-2)42-57(4,5)55(69)76-39-37-67(11-3)49-33-29-48(30-34-49)64-66-52-41-53(73-7)51(40-54(52)74-8)65-63-46-27-25-45(26-28-46)60-59-43-21-23-44(24-22-43)61-62-47-31-35-50(36-32-47)68(71)72;1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36-59(37-38-66-51(61)52(3,4)8-2)45-32-28-44(29-33-45)56-58-48-40-49(64-5)47(39-50(48)65-6)57-55-42-26-24-41(25-27-42)53-54-43-30-34-46(35-31-43)60(62)63;1-7-9-10-11-12-13-14-15-16-17-30-53(31-32-60-45(55)46(3,4)8-2)39-26-22-38(23-27-39)50-52-42-34-43(58-5)41(33-44(42)59-6)51-49-36-20-18-35(19-21-36)47-48-37-24-28-40(29-25-37)54(56)57/h27-42,46-47H,9-26,43-45,48H2,1-8H3;21-36,40-41H,9-20,37-39,42H2,1-8H3;24-35,39-40H,7-23,36-38H2,1-6H3;18-29,33-34H,7-17,30-32H2,1-6H3/b66-65+,68-67+,71-69+,72-70+;60-59+,62-61+,65-63+,66-64+;54-53+,57-55+,58-56+;48-47+,51-49+,52-50+
• InChIKey: UBSYYBNHMHHEEN-SQOBDXSHSA-N
• XLogP: 69.69
• TPSA: 763.24 Ų
• H-Bond Acceptors: 60
• Rotatable Bonds: 128
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3888.98
LogP ≤ 5	69.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate?

The IUPAC name of 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate (CID 161047910) is 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate.

What is the SMILES notation for 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate?

The canonical SMILES for 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate is CCCCCCCCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2OC)cc1.CCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2cc(OC)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2OC)cc1.

What is the InChIKey of 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate?

The InChIKey is UBSYYBNHMHHEEN-SQOBDXSHSA-N. The full InChI is InChI=1S/C64H86N10O8.C58H74N10O8.C52H72N8O6.C46H60N8O6/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-44-81-62(76)64(6,10-2)48-63(4,5)61(75)82-45-43-73(11-3)55-39-35-54(36-40-55)70-72-58-47-59(79-7)57(46-60(58)80-8)71-69-52-33-31-51(32-34-52)66-65-49-27-29-50(30-28-49)67-68-53-37-41-56(42-38-53)74(77)78;1-9-12-13-14-15-16-17-18-19-20-38-75-56(70)58(6,10-2)42-57(4,5)55(69)76-39-37-67(11-3)49-33-29-48(30-34-49)64-66-52-41-53(73-7)51(40-54(52)74-8)65-63-46-27-25-45(26-28-46)60-59-43-21-23-44(24-22-43)61-62-47-31-35-50(36-32-47)68(71)72;1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36-59(37-38-66-51(61)52(3,4)8-2)45-32-28-44(29-33-45)56-58-48-40-49(64-5)47(39-50(48)65-6)57-55-42-26-24-41(25-27-42)53-54-43-30-34-46(35-31-43)60(62)63;1-7-9-10-11-12-13-14-15-16-17-30-53(31-32-60-45(55)46(3,4)8-2)39-26-22-38(23-27-39)50-52-42-34-43(58-5)41(33-44(42)59-6)51-49-36-20-18-35(19-21-36)47-48-37-24-28-40(29-25-37)54(56)57/h27-42,46-47H,9-26,43-45,48H2,1-8H3;21-36,40-41H,9-20,37-39,42H2,1-8H3;24-35,39-40H,7-23,36-38H2,1-6H3;18-29,33-34H,7-17,30-32H2,1-6H3/b66-65+,68-67+,71-69+,72-70+;60-59+,62-61+,65-63+,66-64+;54-53+,57-55+,58-56+;48-47+,51-49+,52-50+.

What are the key properties of 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate?

2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate has a molecular weight of 3888.98 g/mol, XLogP of 69.69, 128 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate;2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate;1-O-[2-[4-[[2,5-dimethoxy-4-[[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate is sourced from PubChem (CID 161047910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).