benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium

C204H193N39O7PPt8SSi-5 — CID 157105899

IUPACbenzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.Cn1cnnc1O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1nnco1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[S-]c1ccccc1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2nccn2)ccnc1Cn1nccn1.[c-]1cccn1C1(c2cc(-c3ccccc3)cc(C3(n4cccn4)CCCCC3)n2)CCCCC1.[c-]1cccn1Cc1cccc(Cn2cccn2)n1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H33N4.C18H16OSi.C18H14O.C18H15P.C16H15N3.5C14H13N4.C11H10N7.2C6H6O.C6H6S.C3H5N3O.C2H2N2O2.8Pt/c1-4-13-25(14-5-1)26-23-27(29(15-6-2-7-16-29)33-20-10-11-21-33)32-28(24-26)30(17-8-3-9-18-30)34-22-12-19-31-34;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;4*1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;1-2-9-17(8-1)11-13-5-3-6-14(16-13)12-18-10-4-7-15-18;1-2-12-11(9-18-15-5-6-16-18)7-10(1)8-17-13-3-4-14-17;3*7-6-4-2-1-3-5-6;1-6-2-4-5-3(6)7;5-2-4-3-1-6-2;;;;;;;;/h1,4-5,10-14,19-20,22-24H,2-3,6-9,15-18H2;1-15,19H;1-13,19H;1-15H;2-6,8,10-11H,12-13H2,1H3;4*1-9H,11-12H2;1-8,10H,11-12H2;1-6H,8-9H2;3*1-5,7H;2H,1H3,(H,5,7);1H,(H,4,5);;;;;;;;/q-1;;;;-2;6*-1;;;;;;;;;;;;2*+2
InChIKeyMUDLNIBIUNSVEL-UHFFFAOYSA-N
MW4954.81 g/mol
LogP32.90
Rot. Bonds41

About benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium

benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium (PubChem CID 157105899) has the molecular formula C204H193N39O7PPt8SSi-5 and a molecular weight of 4954.81 g/mol. Its IUPAC name is benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium.

Molecular Properties

Compound Namebenzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium
PubChem CID157105899
Molecular FormulaC204H193N39O7PPt8SSi-5
Molecular Weight4954.81 g/mol
Exact Mass4951.24
IUPAC Namebenzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.Cn1cnnc1O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1nnco1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[S-]c1ccccc1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2nccn2)ccnc1Cn1nccn1.[c-]1cccn1C1(c2cc(-c3ccccc3)cc(C3(n4cccn4)CCCCC3)n2)CCCCC1.[c-]1cccn1Cc1cccc(Cn2cccn2)n1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H33N4.C18H16OSi.C18H14O.C18H15P.C16H15N3.5C14H13N4.C11H10N7.2C6H6O.C6H6S.C3H5N3O.C2H2N2O2.8Pt/c1-4-13-25(14-5-1)26-23-27(29(15-6-2-7-16-29)33-20-10-11-21-33)32-28(24-26)30(17-8-3-9-18-30)34-22-12-19-31-34;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;4*1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;1-2-9-17(8-1)11-13-5-3-6-14(16-13)12-18-10-4-7-15-18;1-2-12-11(9-18-15-5-6-16-18)7-10(1)8-17-13-3-4-14-17;3*7-6-4-2-1-3-5-6;1-6-2-4-5-3(6)7;5-2-4-3-1-6-2;;;;;;;;/h1,4-5,10-14,19-20,22-24H,2-3,6-9,15-18H2;1-15,19H;1-13,19H;1-15H;2-6,8,10-11H,12-13H2,1H3;4*1-9H,11-12H2;1-8,10H,11-12H2;1-6H,8-9H2;3*1-5,7H;2H,1H3,(H,5,7);1H,(H,4,5);;;;;;;;/q-1;;;;-2;6*-1;;;;;;;;;;;;2*+2
InChIKeyMUDLNIBIUNSVEL-UHFFFAOYSA-N
XLogP32.90
TPSA501.91 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms261
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004954.81
LogP ≤ 532.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium?
The IUPAC name of benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium (CID 157105899) is benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium.
What is the SMILES notation for benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium?
The canonical SMILES for benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium is Cc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.Cn1cnnc1O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1nnco1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[S-]c1ccccc1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2nccn2)ccnc1Cn1nccn1.[c-]1cccn1C1(c2cc(-c3ccccc3)cc(C3(n4cccn4)CCCCC3)n2)CCCCC1.[c-]1cccn1Cc1cccc(Cn2cccn2)n1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium?
The InChIKey is MUDLNIBIUNSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N4.C18H16OSi.C18H14O.C18H15P.C16H15N3.5C14H13N4.C11H10N7.2C6H6O.C6H6S.C3H5N3O.C2H2N2O2.8Pt/c1-4-13-25(14-5-1)26-23-27(29(15-6-2-7-16-29)33-20-10-11-21-33)32-28(24-26)30(17-8-3-9-18-30)34-22-12-19-31-34;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;4*1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;1-2-9-17(8-1)11-13-5-3-6-14(16-13)12-18-10-4-7-15-18;1-2-12-11(9-18-15-5-6-16-18)7-10(1)8-17-13-3-4-14-17;3*7-6-4-2-1-3-5-6;1-6-2-4-5-3(6)7;5-2-4-3-1-6-2;;;;;;;;/h1,4-5,10-14,19-20,22-24H,2-3,6-9,15-18H2;1-15,19H;1-13,19H;1-15H;2-6,8,10-11H,12-13H2,1H3;4*1-9H,11-12H2;1-8,10H,11-12H2;1-6H,8-9H2;3*1-5,7H;2H,1H3,(H,5,7);1H,(H,4,5);;;;;;;;/q-1;;;;-2;6*-1;;;;;;;;;;;;2*+2.
What are the key properties of benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium?
benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium has a molecular weight of 4954.81 g/mol, XLogP of 32.90, 41 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium is sourced from PubChem (CID 157105899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).