6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))

C109H82F14N13O8Pt5S-3 — CID 160867877

About 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))

6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)) (PubChem CID 160867877) has the molecular formula C109H82F14N13O8Pt5S-3 and a molecular weight of 2975.37 g/mol. Its IUPAC name is 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)).

Molecular Properties

• Compound Name: 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))
• PubChem CID: 160867877
• Molecular Formula: C109H82F14N13O8Pt5S-3
• Molecular Weight: 2975.37 g/mol
• Exact Mass: 2973.42
• IUPAC Name: 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))
• SMILES: CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.C[N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)[S-])n3)n2)c1F.[Pt+2].[Pt+2].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C24H25N2O2.C22H17F5N3O.C21H14F5N2O2.C21H14F2N3O2.C21H14F2N3OS.5Pt/c1-23(2,3)17-10-6-9-16(15-17)18-11-7-13-20(25-18)24(4,5)21-14-8-12-19(26-21)22(27)28;1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27;1-20(2,16-8-4-6-14(28-16)19(29)30)15-7-3-5-13(27-15)11-9-10-12(22)17(18(11)23)21(24,25)26;2*1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;;;;;/h6-8,10-15H,1-5H3,(H,27,28);4-9,11H,1-3H3,(H,28,31);3-8,10H,1-2H3,(H,29,30);2*4-9,11H,1-2H3,(H,27,28);;;;;/q5*-1;;;;2*+2/p-2
• InChIKey: SFMPADVMPPBDRF-UHFFFAOYSA-L
• XLogP: 25.81
• TPSA: 297.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2975.37
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The IUPAC name of 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)) (CID 160867877) is 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)).

What is the SMILES notation for 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The canonical SMILES for 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)) is CC(C)(C)c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.C[N-]C(=O)c1cccc(C(C)(C)c2cccc(-c3[c-]cc(F)c(C(F)(F)F)c3F)n2)n1.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(=O)[S-])n3)n2)c1F.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].

What is the InChIKey of 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

The InChIKey is SFMPADVMPPBDRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H25N2O2.C22H17F5N3O.C21H14F5N2O2.C21H14F2N3O2.C21H14F2N3OS.5Pt/c1-23(2,3)17-10-6-9-16(15-17)18-11-7-13-20(25-18)24(4,5)21-14-8-12-19(26-21)22(27)28;1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27;1-20(2,16-8-4-6-14(28-16)19(29)30)15-7-3-5-13(27-15)11-9-10-12(22)17(18(11)23)21(24,25)26;2*1-21(2,17-9-5-7-15(26-17)20(27)28)16-8-4-6-14(25-16)12-10-11-13(22)19(24-3)18(12)23;;;;;/h6-8,10-15H,1-5H3,(H,27,28);4-9,11H,1-3H3,(H,28,31);3-8,10H,1-2H3,(H,29,30);2*4-9,11H,1-2H3,(H,27,28);;;;;/q5*-1;;;;2*+2/p-2.

What are the key properties of 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+))?

6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)) has a molecular weight of 2975.37 g/mol, XLogP of 25.81, 20 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbothioate;6-[2-[6-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-methylazanide;6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum;bis(platinum(2+)) is sourced from PubChem (CID 160867877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).