4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde

C272H180N4O58S2 — CID 161278710

About 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde

4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde (PubChem CID 161278710) has the molecular formula C272H180N4O58S2 and a molecular weight of 4496.54 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde.

Molecular Properties

• Compound Name: 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde
• PubChem CID: 161278710
• Molecular Formula: C272H180N4O58S2
• Molecular Weight: 4496.54 g/mol
• Exact Mass: 4493.07
• IUPAC Name: 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde
• SMILES: N#COc1ccc(-c2ccc(C=O)cc2)cc1.N#COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1.Nc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.Nc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccc(S)cc3)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)OC4=O)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.O=Cc1ccc(-c2ccc3c(c2)C(=O)OC3=O)cc1.O=Cc1ccc(-c2ccccc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(S)cc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1.O=Cc1ccc(OC(=O)c2ccccc2)cc1
• InChI: InChI=1S/C21H15NO5.C21H14O6.C21H14O5S.C21H14O5.C21H12O4.C19H15NO.C19H14O2.C19H14OS.C19H14O.C16H8O6.C15H9NO4.C15H8O4.C14H9NO2.C14H10O3.C13H10O.4CO2/c22-17-7-3-15(4-8-17)20(24)27-19-11-5-16(6-12-19)21(25)26-18-9-1-14(13-23)2-10-18;22-13-14-1-9-18(10-2-14)26-21(25)16-5-11-19(12-6-16)27-20(24)15-3-7-17(23)8-4-15;22-13-14-1-7-17(8-2-14)25-20(23)15-3-9-18(10-4-15)26-21(24)16-5-11-19(27)12-6-16;22-14-15-6-10-18(11-7-15)25-21(24)17-8-12-19(13-9-17)26-20(23)16-4-2-1-3-5-16;22-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-9-10-18-19(11-17)21(24)25-20(18)23;20-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-14(13-21)2-4-15;2*20-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-11-19(21)12-10-18;20-14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16;17-8-9-1-4-11(5-2-9)21-14(18)10-3-6-12-13(7-10)16(20)22-15(12)19;16-10-19-13-7-3-12(4-8-13)15(18)20-14-5-1-11(9-17)2-6-14;16-8-9-1-3-10(4-2-9)11-5-6-12-13(7-11)15(18)19-14(12)17;15-10-17-14-7-5-13(6-8-14)12-3-1-11(9-16)2-4-12;15-10-11-6-8-13(9-7-11)17-14(16)12-4-2-1-3-5-12;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;4*2-1-3/h1-13H,22H2;1-13,23H;1-13,27H;1-14H;1-12H;1-13H,20H2;2*1-13,21H;1-14H;1-8H;1-9H;1-8H;1-9H;1-10H;1-10H
• InChIKey: VEUAOFWKKLLRKI-UHFFFAOYSA-N
• XLogP: 52.04
• TPSA: 970.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 64
• Rotatable Bonds: 52
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4496.54
LogP ≤ 5	52.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde?

The IUPAC name of 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde (CID 161278710) is 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde.

What is the SMILES notation for 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde?

The canonical SMILES for 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde is N#COc1ccc(-c2ccc(C=O)cc2)cc1.N#COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1.Nc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.Nc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccc(S)cc3)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccc4c(c3)C(=O)OC4=O)cc2)cc1.O=Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.O=Cc1ccc(-c2ccc3c(c2)C(=O)OC3=O)cc1.O=Cc1ccc(-c2ccccc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(S)cc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1.O=Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1.O=Cc1ccc(OC(=O)c2ccccc2)cc1.

What is the InChIKey of 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde?

The InChIKey is VEUAOFWKKLLRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5.C21H14O6.C21H14O5S.C21H14O5.C21H12O4.C19H15NO.C19H14O2.C19H14OS.C19H14O.C16H8O6.C15H9NO4.C15H8O4.C14H9NO2.C14H10O3.C13H10O.4CO2/c22-17-7-3-15(4-8-17)20(24)27-19-11-5-16(6-12-19)21(25)26-18-9-1-14(13-23)2-10-18;22-13-14-1-9-18(10-2-14)26-21(25)16-5-11-19(12-6-16)27-20(24)15-3-7-17(23)8-4-15;22-13-14-1-7-17(8-2-14)25-20(23)15-3-9-18(10-4-15)26-21(24)16-5-11-19(27)12-6-16;22-14-15-6-10-18(11-7-15)25-21(24)17-8-12-19(13-9-17)26-20(23)16-4-2-1-3-5-16;22-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-9-10-18-19(11-17)21(24)25-20(18)23;20-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-14(13-21)2-4-15;2*20-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-11-19(21)12-10-18;20-14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16;17-8-9-1-4-11(5-2-9)21-14(18)10-3-6-12-13(7-10)16(20)22-15(12)19;16-10-19-13-7-3-12(4-8-13)15(18)20-14-5-1-11(9-17)2-6-14;16-8-9-1-3-10(4-2-9)11-5-6-12-13(7-11)15(18)19-14(12)17;15-10-17-14-7-5-13(6-8-14)12-3-1-11(9-16)2-4-12;15-10-11-6-8-13(9-7-11)17-14(16)12-4-2-1-3-5-12;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;4*2-1-3/h1-13H,22H2;1-13,23H;1-13,27H;1-14H;1-12H;1-13H,20H2;2*1-13,21H;1-14H;1-8H;1-9H;1-8H;1-9H;1-10H;1-10H;;;;.

What are the key properties of 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde?

4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde has a molecular weight of 4496.54 g/mol, XLogP of 52.04, 52 rotatable bonds, 6 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-aminophenyl)phenyl]benzaldehyde;tetrakis(carbon dioxide);4-(1,3-dioxo-2-benzofuran-5-yl)benzaldehyde;4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]benzaldehyde;[4-(4-formylphenoxy)carbonylphenyl] 4-aminobenzoate;[4-(4-formylphenoxy)carbonylphenyl] 4-hydroxybenzoate;(4-formylphenyl) benzoate;(4-formylphenyl) 4-benzoyloxybenzoate;(4-formylphenyl) 4-cyanatobenzoate;(4-formylphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate;[4-(4-formylphenyl)phenyl] cyanate;(4-formylphenyl) 4-(4-sulfanylbenzoyl)oxybenzoate;4-[4-(4-hydroxyphenyl)phenyl]benzaldehyde;4-phenylbenzaldehyde;4-(4-phenylphenyl)benzaldehyde;4-[4-(4-sulfanylphenyl)phenyl]benzaldehyde is sourced from PubChem (CID 161278710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).