2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C139H114F6N14O4Pt5 — CID 158936459

IUPAC2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C(C)(C)C)c4)n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1)c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1.Cc1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C)c4)n3)n2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H36N2.C27H18F6N2.C27H18N4.C27H24N2.C25H18N4O4.5Pt/c1-31(2,3)25-15-9-13-23(21-25)27-17-11-19-29(34-27)33(7,8)30-20-12-18-28(35-30)24-14-10-16-26(22-24)32(4,5)6;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-19-9-5-11-21(17-19)23-13-7-15-25(28-23)27(3,4)26-16-8-14-24(29-26)22-12-6-10-20(2)18-22;1-25(2,23-13-5-11-21(26-23)17-7-3-9-19(15-17)28(30)31)24-14-6-12-22(27-24)18-8-4-10-20(16-18)29(32)33;;;;;/h9-12,15-22H,1-8H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;5-10,13-18H,1-4H3;3-6,9-16H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKUIJBLNEYNFBNK-UHFFFAOYSA-N
MW3133.91 g/mol
LogP34.16
Rot. Bonds22

About 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 158936459) has the molecular formula C139H114F6N14O4Pt5 and a molecular weight of 3133.91 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
PubChem CID158936459
Molecular FormulaC139H114F6N14O4Pt5
Molecular Weight3133.91 g/mol
Exact Mass3131.73
IUPAC Name2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C(C)(C)C)c4)n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1)c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1.Cc1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C)c4)n3)n2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H36N2.C27H18F6N2.C27H18N4.C27H24N2.C25H18N4O4.5Pt/c1-31(2,3)25-15-9-13-23(21-25)27-17-11-19-29(34-27)33(7,8)30-20-12-18-28(35-30)24-14-10-16-26(22-24)32(4,5)6;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-19-9-5-11-21(17-19)23-13-7-15-25(28-23)27(3,4)26-16-8-14-24(29-26)22-12-6-10-20(2)18-22;1-25(2,23-13-5-11-21(26-23)17-7-3-9-19(15-17)28(30)31)24-14-6-12-22(27-24)18-8-4-10-20(16-18)29(32)33;;;;;/h9-12,15-22H,1-8H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;5-10,13-18H,1-4H3;3-6,9-16H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKUIJBLNEYNFBNK-UHFFFAOYSA-N
XLogP34.16
TPSA243.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003133.91
LogP ≤ 534.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 158936459) is 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C(C)(C)C)c4)n3)n2)c1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1)c1cccc(-c2[c-]ccc([N+](=O)[O-])c2)n1.Cc1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C)c4)n3)n2)c1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is KUIJBLNEYNFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2.C27H18F6N2.C27H18N4.C27H24N2.C25H18N4O4.5Pt/c1-31(2,3)25-15-9-13-23(21-25)27-17-11-19-29(34-27)33(7,8)30-20-12-18-28(35-30)24-14-10-16-26(22-24)32(4,5)6;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-19-9-5-11-21(17-19)23-13-7-15-25(28-23)27(3,4)26-16-8-14-24(29-26)22-12-6-10-20(2)18-22;1-25(2,23-13-5-11-21(26-23)17-7-3-9-19(15-17)28(30)31)24-14-6-12-22(27-24)18-8-4-10-20(16-18)29(32)33;;;;;/h9-12,15-22H,1-8H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;5-10,13-18H,1-4H3;3-6,9-16H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 3133.91 g/mol, XLogP of 34.16, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methylbenzene-6-id-1-yl)-6-[2-[6-(3-methylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(3-nitrobenzene-6-id-1-yl)-6-[2-[6-(3-nitrobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 158936459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).