2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline

C296H190F18N18OS — CID 160789768

About 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline

2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 160789768) has the molecular formula C296H190F18N18OS and a molecular weight of 4388.93 g/mol. Its IUPAC name is 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
• PubChem CID: 160789768
• Molecular Formula: C296H190F18N18OS
• Molecular Weight: 4388.93 g/mol
• Exact Mass: 4385.48
• IUPAC Name: 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
• SMILES: CC(C)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.CC(c1ccccc1)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.Cc1ccc2ccc3ccc(-c4ccc(C(c5ccccc5-c5ccc6ccc7ccc(C)nc7c6n5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1)(c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4)nc3c2n1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)C(F)(F)F.c1ccc2c(c1)ccc1ccc(-c3ccc(Oc4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.c1ccc2c(c1)ccc1ccc(-c3ccc(Sc4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12
• InChI: InChI=1S/C51H30F6N4.C46H32N2.C41H26F6N4.C41H24F6N2.C41H30N2.C38H24N2O.C38H24N2S/c52-50(53,54)49(51(55,56)57,38-25-19-33(20-26-38)43-29-23-35-16-15-34-21-27-41(31-9-3-1-4-10-31)58-45(34)46(35)60-43)40-14-8-7-13-39(40)44-30-24-37-18-17-36-22-28-42(32-11-5-2-6-12-32)59-47(36)48(37)61-44;1-46(37-11-3-2-4-12-37,38-25-19-33(20-26-38)42-29-23-35-17-15-31-9-5-7-13-40(31)44(35)47-42)39-27-21-34(22-28-39)43-30-24-36-18-16-32-10-6-8-14-41(32)45(36)48-43;1-23-7-9-26-11-13-28-17-21-33(50-37(28)35(26)48-23)25-15-19-30(20-16-25)39(40(42,43)44,41(45,46)47)32-6-4-3-5-31(32)34-22-18-29-14-12-27-10-8-24(2)49-36(27)38(29)51-34;42-40(43,44)39(41(45,46)47,31-19-13-27(14-20-31)35-23-17-29-11-9-25-5-1-3-7-33(25)37(29)48-35)32-21-15-28(16-22-32)36-24-18-30-12-10-26-6-2-4-8-34(26)38(30)49-36;1-41(2,33-21-15-29(16-22-33)37-25-19-31-13-11-27-7-3-5-9-35(27)39(31)42-37)34-23-17-30(18-24-34)38-26-20-32-14-12-28-8-4-6-10-36(28)40(32)43-38;2*1-3-7-33-25(5-1)9-11-29-17-23-35(39-37(29)33)27-13-19-31(20-14-27)41-32-21-15-28(16-22-32)36-24-18-30-12-10-26-6-2-4-8-34(26)38(30)40-36/h1-30H;2-30H,1H3;3-22H,1-2H3;1-24H;3-26H,1-2H3;2*1-24H
• InChIKey: SBRKGHCNQRSWEJ-UHFFFAOYSA-N
• XLogP: 80.35
• TPSA: 241.25 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4388.93
LogP ≤ 5	80.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The IUPAC name of 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline (CID 160789768) is 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline.

What is the SMILES notation for 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The canonical SMILES for 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline is CC(C)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.CC(c1ccccc1)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.Cc1ccc2ccc3ccc(-c4ccc(C(c5ccccc5-c5ccc6ccc7ccc(C)nc7c6n5)(C(F)(F)F)C(F)(F)F)cc4)nc3c2n1.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1)(c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4)nc3c2n1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)(c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1)C(F)(F)F.c1ccc2c(c1)ccc1ccc(-c3ccc(Oc4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.c1ccc2c(c1)ccc1ccc(-c3ccc(Sc4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12.

What is the InChIKey of 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The InChIKey is SBRKGHCNQRSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F6N4.C46H32N2.C41H26F6N4.C41H24F6N2.C41H30N2.C38H24N2O.C38H24N2S/c52-50(53,54)49(51(55,56)57,38-25-19-33(20-26-38)43-29-23-35-16-15-34-21-27-41(31-9-3-1-4-10-31)58-45(34)46(35)60-43)40-14-8-7-13-39(40)44-30-24-37-18-17-36-22-28-42(32-11-5-2-6-12-32)59-47(36)48(37)61-44;1-46(37-11-3-2-4-12-37,38-25-19-33(20-26-38)42-29-23-35-17-15-31-9-5-7-13-40(31)44(35)47-42)39-27-21-34(22-28-39)43-30-24-36-18-16-32-10-6-8-14-41(32)45(36)48-43;1-23-7-9-26-11-13-28-17-21-33(50-37(28)35(26)48-23)25-15-19-30(20-16-25)39(40(42,43)44,41(45,46)47)32-6-4-3-5-31(32)34-22-18-29-14-12-27-10-8-24(2)49-36(27)38(29)51-34;42-40(43,44)39(41(45,46)47,31-19-13-27(14-20-31)35-23-17-29-11-9-25-5-1-3-7-33(25)37(29)48-35)32-21-15-28(16-22-32)36-24-18-30-12-10-26-6-2-4-8-34(26)38(30)49-36;1-41(2,33-21-15-29(16-22-33)37-25-19-31-13-11-27-7-3-5-9-35(27)39(31)42-37)34-23-17-30(18-24-34)38-26-20-32-14-12-28-8-4-6-10-36(28)40(32)43-38;2*1-3-7-33-25(5-1)9-11-29-17-23-35(39-37(29)33)27-13-19-31(20-14-27)41-32-21-15-28(16-22-32)36-24-18-30-12-10-26-6-2-4-8-34(26)38(30)40-36/h1-30H;2-30H,1H3;3-22H,1-2H3;1-24H;3-26H,1-2H3;2*1-24H.

What are the key properties of 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline?

2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 4388.93 g/mol, XLogP of 80.35, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-benzo[h]quinolin-2-ylphenoxy)phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzo[h]quinoline;2-[4-[1-(4-benzo[h]quinolin-2-ylphenyl)-1-phenylethyl]phenyl]benzo[h]quinoline;2-[4-[2-(4-benzo[h]quinolin-2-ylphenyl)propan-2-yl]phenyl]benzo[h]quinoline;2-[4-(4-benzo[h]quinolin-2-ylphenyl)sulfanylphenyl]benzo[h]quinoline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-methyl-1,10-phenanthroline;2-[2-[1,1,1,3,3,3-hexafluoro-2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 160789768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).