2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine

C170H126N16O10Pd2Pt4 — CID 167712467

IUPAC2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine
SMILESC(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12.[Pd].[Pd].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Cc2ccccn2)cccc1-c1[c-]c(Cc2ccccn2)ccc1.[c-]1c(Oc2nccc3ccccc23)cccc1-c1[c-]c(Oc2nccc3ccccc23)ccc1
InChIInChI=1S/C38H26N6.C30H18N2O2.C30H32N2O2.C26H16N2O4.C24H18N2.C22H16N2O2.2Pd.4Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-3-13-27-21(7-1)15-17-31-29(27)33-25-11-5-9-23(19-25)24-10-6-12-26(20-24)34-30-28-14-4-2-8-22(28)16-18-32-30;1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30;1-3-13-25-23(11-1)17-19-7-5-9-21(15-19)22-10-6-8-20(16-22)18-24-12-2-4-14-26-24;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;;;;;;/h1-26H;1-18H;7-18,33-34H,1-6H3;1-14,29-30H;1-14H,17-18H2;1-14,25-26H;;;;;;/q2*-2;;;-2;;;;;3*+2
InChIKeyLNYISIWQVUMUBZ-UHFFFAOYSA-N
MW3546.13 g/mol
LogP41.75
Rot. Bonds24

About 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine

2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine (PubChem CID 167712467) has the molecular formula C170H126N16O10Pd2Pt4 and a molecular weight of 3546.13 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine
PubChem CID167712467
Molecular FormulaC170H126N16O10Pd2Pt4
Molecular Weight3546.13 g/mol
Exact Mass3542.65
IUPAC Name2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine
SMILESC(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12.[Pd].[Pd].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Cc2ccccn2)cccc1-c1[c-]c(Cc2ccccn2)ccc1.[c-]1c(Oc2nccc3ccccc23)cccc1-c1[c-]c(Oc2nccc3ccccc23)ccc1
InChIInChI=1S/C38H26N6.C30H18N2O2.C30H32N2O2.C26H16N2O4.C24H18N2.C22H16N2O2.2Pd.4Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-3-13-27-21(7-1)15-17-31-29(27)33-25-11-5-9-23(19-25)24-10-6-12-26(20-24)34-30-28-14-4-2-8-22(28)16-18-32-30;1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30;1-3-13-25-23(11-1)17-19-7-5-9-21(15-19)22-10-6-8-20(16-22)18-24-12-2-4-14-26-24;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;;;;;;/h1-26H;1-18H;7-18,33-34H,1-6H3;1-14,29-30H;1-14H,17-18H2;1-14,25-26H;;;;;;/q2*-2;;;-2;;;;;3*+2
InChIKeyLNYISIWQVUMUBZ-UHFFFAOYSA-N
XLogP41.75
TPSA355.48 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003546.13
LogP ≤ 541.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine?
The IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine (CID 167712467) is 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine?
The canonical SMILES for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine is C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.Oc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12.[Pd].[Pd].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Cc2ccccn2)cccc1-c1[c-]c(Cc2ccccn2)ccc1.[c-]1c(Oc2nccc3ccccc23)cccc1-c1[c-]c(Oc2nccc3ccccc23)ccc1.
What is the InChIKey of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine?
The InChIKey is LNYISIWQVUMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6.C30H18N2O2.C30H32N2O2.C26H16N2O4.C24H18N2.C22H16N2O2.2Pd.4Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-3-13-27-21(7-1)15-17-31-29(27)33-25-11-5-9-23(19-25)24-10-6-12-26(20-24)34-30-28-14-4-2-8-22(28)16-18-32-30;1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30;1-3-13-25-23(11-1)17-19-7-5-9-21(15-19)22-10-6-8-20(16-22)18-24-12-2-4-14-26-24;25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;;;;;;/h1-26H;1-18H;7-18,33-34H,1-6H3;1-14,29-30H;1-14H,17-18H2;1-14,25-26H;;;;;;/q2*-2;;;-2;;;;;3*+2.
What are the key properties of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine?
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine has a molecular weight of 3546.13 g/mol, XLogP of 41.75, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;1-[3-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxyisoquinoline;bis(palladium);1-phenyl-2-[[6-[6-[(1-phenylbenzimidazol-3-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum;tris(platinum(2+));2-[[3-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]pyridine is sourced from PubChem (CID 167712467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).