carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid

C188H291Co2Cr2N13O24P3+ — CID 159168141

About carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid

carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid (PubChem CID 159168141) has the molecular formula C188H291Co2Cr2N13O24P3+ and a molecular weight of 3432.24 g/mol. Its IUPAC name is carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid.

Molecular Properties

• Compound Name: carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid
• PubChem CID: 159168141
• Molecular Formula: C188H291Co2Cr2N13O24P3+
• Molecular Weight: 3432.24 g/mol
• Exact Mass: 3429.86
• IUPAC Name: carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid
• SMILES: C.CCCCC(CCCC)c1cc(C)c(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(CCC[P+](C)(C)C)CCC[P+](C)(C)C)cc(C)c2O)c1.CCCCCc1c2ccc(c1CCCCC)CCCc1cc(C(C)(C)C)cc(c1O)/C=N/CC/N=C/c1cc(C(C)(C)C)cc(c1O)CCC2.C[N+]1=C2N(CCCCc3cc4ccc3CCCc3cc(C(C)(C)C)cc(c3O)/C=N/CC/N=C/c3cc(C(C)(C)C)cc(c3O)CCC4)CCCN2CCC1.Cc1cc(CCCC[P+](C)(N(C)C)N(C)C)cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.[CH3-].[CH3-].[CH3-].[Co].[Co].[Cr].[Cr]
• InChI: InChI=1S/C48H67N5O2.C46H66N2O2.C44H72N2O2P2.C38H61N4O2P.4C2H2O4.CH4.3CH3.2Co.2Cr/c1-47(2,3)42-29-38-17-10-14-35-19-20-36(37(28-35)15-8-9-24-52-26-13-27-53-25-12-23-51(7)46(52)53)16-11-18-39-30-43(48(4,5)6)32-41(45(39)55)34-50-22-21-49-33-40(31-42)44(38)54;1-9-11-13-21-41-33-17-15-19-35-27-39(45(3,4)5)29-37(43(35)49)31-47-25-26-48-32-38-30-40(46(6,7)8)28-36(44(38)50)20-16-18-34(24-23-33)42(41)22-14-12-10-2;1-11-13-19-35(20-14-12-2)37-27-33(3)43(47)39(29-37)31-45-41-23-15-16-24-42(41)46-32-40-30-38(28-34(4)44(40)48)36(21-17-25-49(5,6)7)22-18-26-50(8,9)10;1-27-21-28(17-15-16-20-45(12,41(8)9)42(10)11)22-29(35(27)43)25-39-33-18-13-14-19-34(33)40-26-30-23-31(37(2,3)4)24-32(36(30)44)38(5,6)7;4*3-1(4)2(5)6;;;;;;;;/h19-20,28-34H,8-18,21-27H2,1-7H3,(H-,49,50,54,55);23-24,27-32,49-50H,9-22,25-26H2,1-8H3;27-32,35-36,41-42H,11-26H2,1-10H3;21-26,33-34H,13-20H2,1-12H3,(H-,39,40,43,44);4*(H,3,4)(H,5,6);1H4;3*1H3;;;;/q;;;;;;;;;3*-1;;;;/p+4/b;47-31+,48-32+
• InChIKey: CXMKLFAHPVQUSF-JNQBDZHXSA-R
• XLogP: 39.85
• TPSA: 575.09 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3432.24
LogP ≤ 5	39.85
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid?

The IUPAC name of carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid (CID 159168141) is carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid.

What is the SMILES notation for carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid?

The canonical SMILES for carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid is C.CCCCC(CCCC)c1cc(C)c(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(CCC[P+](C)(C)C)CCC[P+](C)(C)C)cc(C)c2O)c1.CCCCCc1c2ccc(c1CCCCC)CCCc1cc(C(C)(C)C)cc(c1O)/C=N/CC/N=C/c1cc(C(C)(C)C)cc(c1O)CCC2.C[N+]1=C2N(CCCCc3cc4ccc3CCCc3cc(C(C)(C)C)cc(c3O)/C=N/CC/N=C/c3cc(C(C)(C)C)cc(c3O)CCC4)CCCN2CCC1.Cc1cc(CCCC[P+](C)(N(C)C)N(C)C)cc(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.[CH3-].[CH3-].[CH3-].[Co].[Co].[Cr].[Cr].

What is the InChIKey of carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid?

The InChIKey is CXMKLFAHPVQUSF-JNQBDZHXSA-R. The full InChI is InChI=1S/C48H67N5O2.C46H66N2O2.C44H72N2O2P2.C38H61N4O2P.4C2H2O4.CH4.3CH3.2Co.2Cr/c1-47(2,3)42-29-38-17-10-14-35-19-20-36(37(28-35)15-8-9-24-52-26-13-27-53-25-12-23-51(7)46(52)53)16-11-18-39-30-43(48(4,5)6)32-41(45(39)55)34-50-22-21-49-33-40(31-42)44(38)54;1-9-11-13-21-41-33-17-15-19-35-27-39(45(3,4)5)29-37(43(35)49)31-47-25-26-48-32-38-30-40(46(6,7)8)28-36(44(38)50)20-16-18-34(24-23-33)42(41)22-14-12-10-2;1-11-13-19-35(20-14-12-2)37-27-33(3)43(47)39(29-37)31-45-41-23-15-16-24-42(41)46-32-40-30-38(28-34(4)44(40)48)36(21-17-25-49(5,6)7)22-18-26-50(8,9)10;1-27-21-28(17-15-16-20-45(12,41(8)9)42(10)11)22-29(35(27)43)25-39-33-18-13-14-19-34(33)40-26-30-23-31(37(2,3)4)24-32(36(30)44)38(5,6)7;4*3-1(4)2(5)6;;;;;;;;/h19-20,28-34H,8-18,21-27H2,1-7H3,(H-,49,50,54,55);23-24,27-32,49-50H,9-22,25-26H2,1-8H3;27-32,35-36,41-42H,11-26H2,1-10H3;21-26,33-34H,13-20H2,1-12H3,(H-,39,40,43,44);4*(H,3,4)(H,5,6);1H4;3*1H3;;;;/q;;;;;;;;;3*-1;;;;/p+4/b;47-31+,48-32+;;;;;;;;;;;;;;.

What are the key properties of carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid?

carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid has a molecular weight of 3432.24 g/mol, XLogP of 39.85, 44 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;chromium;cobalt;7,18-ditert-butyl-25,26-dipentyl-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;4-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxy-5-methylphenyl]butyl-bis(dimethylamino)-methylphosphanium;7,18-ditert-butyl-25-[4-(1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium-9-yl)butyl]-11,14-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(26),5(30),6,8,10,14,16,18,20(29),24,27-undecaene-29,30-diol;[4-[4-hydroxy-3-[[2-[(2-hydroxy-3-methyl-5-nonan-5-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-7-trimethylphosphaniumylheptyl]-trimethylphosphanium;methane;oxalic acid is sourced from PubChem (CID 159168141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).