2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole

C283H186N16O8S8 — CID 160779597

About 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole (PubChem CID 160779597) has the molecular formula C283H186N16O8S8 and a molecular weight of 4195.24 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole
• PubChem CID: 160779597
• Molecular Formula: C283H186N16O8S8
• Molecular Weight: 4195.24 g/mol
• Exact Mass: 4191.24
• IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)cc1.CC1(C)c2ccccc2-c2ccc(-c3nnc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)o3)cc21.Cc1cc(C)c(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)c(C)c1.Cc1ccc(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc32)cc1.c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc3)cccc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nnc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)o3)cc21.c1ccc2cc(-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc3)ccc2c1
• InChI: InChI=1S/C45H26N2OS.C45H28N2OS.2C36H22N2OS.C35H24N2OS.C30H24N2OS.C29H22N2OS.C27H18N2OS/c1-5-16-37-31(10-1)32-11-2-6-17-38(32)45(37)39-18-7-3-12-33(39)34-25-24-29(26-40(34)45)44-47-46-43(48-44)28-22-20-27(21-23-28)30-14-9-15-36-35-13-4-8-19-41(35)49-42(30)36;1-3-12-32(13-4-1)45(33-14-5-2-6-15-33)39-20-9-7-16-35(39)36-27-26-31(28-40(36)45)44-47-46-43(48-44)30-24-22-29(23-25-30)34-18-11-19-38-37-17-8-10-21-41(37)49-42(34)38;1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-37-38-36(39-35)27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)40-34(30)32;1-2-7-28-22-29(21-14-23(28)6-1)24-12-17-26(18-13-24)35-37-38-36(39-35)27-19-15-25(16-20-27)30-9-5-10-32-31-8-3-4-11-33(31)40-34(30)32;1-35(2)29-12-5-3-8-25(29)26-19-18-23(20-30(26)35)34-37-36-33(38-34)22-16-14-21(15-17-22)24-10-7-11-28-27-9-4-6-13-31(27)39-32(24)28;1-30(2,3)22-17-15-21(16-18-22)29-32-31-28(33-29)20-13-11-19(12-14-20)23-8-6-9-25-24-7-4-5-10-26(24)34-27(23)25;1-17-15-18(2)26(19(3)16-17)29-31-30-28(32-29)21-13-11-20(12-14-21)22-8-6-9-24-23-7-4-5-10-25(23)33-27(22)24;1-17-9-11-19(12-10-17)26-28-29-27(30-26)20-15-13-18(14-16-20)21-6-4-7-23-22-5-2-3-8-24(22)31-25(21)23/h1-26H;1-28H;2*1-22H;3-20H,1-2H3;4-18H,1-3H3;4-16H,1-3H3;2-16H,1H3
• InChIKey: SAJZVEZWJSCCFP-UHFFFAOYSA-N
• XLogP: 78.69
• TPSA: 311.36 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 315
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4195.24
LogP ≤ 5	78.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole (CID 160779597) is 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)cc1.CC1(C)c2ccccc2-c2ccc(-c3nnc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)o3)cc21.Cc1cc(C)c(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)c(C)c1.Cc1ccc(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)o2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc32)cc1.c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc3)cccc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nnc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)o3)cc21.c1ccc2cc(-c3ccc(-c4nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)o4)cc3)ccc2c1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole?

The InChIKey is SAJZVEZWJSCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2OS.C45H28N2OS.2C36H22N2OS.C35H24N2OS.C30H24N2OS.C29H22N2OS.C27H18N2OS/c1-5-16-37-31(10-1)32-11-2-6-17-38(32)45(37)39-18-7-3-12-33(39)34-25-24-29(26-40(34)45)44-47-46-43(48-44)28-22-20-27(21-23-28)30-14-9-15-36-35-13-4-8-19-41(35)49-42(30)36;1-3-12-32(13-4-1)45(33-14-5-2-6-15-33)39-20-9-7-16-35(39)36-27-26-31(28-40(36)45)44-47-46-43(48-44)30-24-22-29(23-25-30)34-18-11-19-38-37-17-8-10-21-41(37)49-42(34)38;1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-37-38-36(39-35)27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)40-34(30)32;1-2-7-28-22-29(21-14-23(28)6-1)24-12-17-26(18-13-24)35-37-38-36(39-35)27-19-15-25(16-20-27)30-9-5-10-32-31-8-3-4-11-33(31)40-34(30)32;1-35(2)29-12-5-3-8-25(29)26-19-18-23(20-30(26)35)34-37-36-33(38-34)22-16-14-21(15-17-22)24-10-7-11-28-27-9-4-6-13-31(27)39-32(24)28;1-30(2,3)22-17-15-21(16-18-22)29-32-31-28(33-29)20-13-11-19(12-14-20)23-8-6-9-25-24-7-4-5-10-26(24)34-27(23)25;1-17-15-18(2)26(19(3)16-17)29-31-30-28(32-29)21-13-11-20(12-14-21)22-8-6-9-24-23-7-4-5-10-25(23)33-27(22)24;1-17-9-11-19(12-10-17)26-28-29-27(30-26)20-15-13-18(14-16-20)21-6-4-7-23-22-5-2-3-8-24(22)31-25(21)23/h1-26H;1-28H;2*1-22H;3-20H,1-2H3;4-18H,1-3H3;4-16H,1-3H3;2-16H,1H3.

What are the key properties of 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole?

2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole has a molecular weight of 4195.24 g/mol, XLogP of 78.69, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-(4-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9-diphenylfluoren-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-1-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(4-naphthalen-2-ylphenyl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)-1,3,4-oxadiazole;2-(4-dibenzothiophen-4-ylphenyl)-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 160779597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).