2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum

C205H157N20Pt5S5-5 — CID 157305898

About 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum

2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum (PubChem CID 157305898) has the molecular formula C205H157N20Pt5S5-5 and a molecular weight of 4039.39 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum
• PubChem CID: 157305898
• Molecular Formula: C205H157N20Pt5S5-5
• Molecular Weight: 4039.39 g/mol
• Exact Mass: 4036.00
• IUPAC Name: 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(Sc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(C)cccc4C)ccn3)ccc2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C44H31N4S.C42H35N4S.C41H33N4S.2C39H29N4S.5Pt/c1-30-12-10-13-31(2)44(30)32-24-25-45-43(26-32)48-39-19-7-6-18-37(39)38-23-22-36(28-42(38)48)49-35-17-11-16-34(27-35)47-29-46(33-14-4-3-5-15-33)40-20-8-9-21-41(40)47;1-28-12-10-13-29(2)41(28)30-22-23-43-40(24-30)46-36-17-7-6-16-34(36)35-21-20-33(26-39(35)46)47-32-15-11-14-31(25-32)44-27-45(42(3,4)5)38-19-9-8-18-37(38)44;1-27(2)43-26-44(38-18-8-7-17-37(38)43)31-13-10-14-32(24-31)46-33-19-20-35-34-15-5-6-16-36(34)45(39(35)25-33)40-23-30(21-22-42-40)41-28(3)11-9-12-29(41)4;2*1-26-10-8-11-27(2)39(26)28-20-21-40-38(22-28)43-34-15-5-4-14-32(34)33-19-18-31(24-37(33)43)44-30-13-9-12-29(23-30)42-25-41(3)35-16-6-7-17-36(35)42;;;;;/h3-26,29H,1-2H3;6-24,27H,1-5H3;5-23,26-27H,1-4H3;2*4-22,25H,1-3H3;;;;;/q5*-1;;;;;/i;;;3D3
• InChIKey: BUQDENWKKBAAND-XDLNSROSSA-N
• XLogP: 52.59
• TPSA: 138.40 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4039.39
LogP ≤ 5	52.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum (CID 157305898) is 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(Sc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(C)cccc4C)ccn3)ccc2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The InChIKey is BUQDENWKKBAAND-XDLNSROSSA-N. The full InChI is InChI=1S/C44H31N4S.C42H35N4S.C41H33N4S.2C39H29N4S.5Pt/c1-30-12-10-13-31(2)44(30)32-24-25-45-43(26-32)48-39-19-7-6-18-37(39)38-23-22-36(28-42(38)48)49-35-17-11-16-34(27-35)47-29-46(33-14-4-3-5-15-33)40-20-8-9-21-41(40)47;1-28-12-10-13-29(2)41(28)30-22-23-43-40(24-30)46-36-17-7-6-16-34(36)35-21-20-33(26-39(35)46)47-32-15-11-14-31(25-32)44-27-45(42(3,4)5)38-19-9-8-18-37(38)44;1-27(2)43-26-44(38-18-8-7-17-37(38)43)31-13-10-14-32(24-31)46-33-19-20-35-34-15-5-6-16-36(34)45(39(35)25-33)40-23-30(21-22-42-40)41-28(3)11-9-12-29(41)4;2*1-26-10-8-11-27(2)39(26)28-20-21-40-38(22-28)43-34-15-5-4-14-32(34)33-19-18-31(24-37(33)43)44-30-13-9-12-29(23-30)42-25-41(3)35-16-6-7-17-36(35)42;;;;;/h3-26,29H,1-2H3;6-24,27H,1-5H3;5-23,26-27H,1-4H3;2*4-22,25H,1-3H3;;;;;/q5*-1;;;;;/i;;;3D3;;;;;;.

What are the key properties of 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum has a molecular weight of 4039.39 g/mol, XLogP of 52.59, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 157305898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).