2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))

C49H52N12Pt2 — CID 58756122

About 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))

2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)) (PubChem CID 58756122) has the molecular formula C49H52N12Pt2 and a molecular weight of 1199.19 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)).

Molecular Properties

• Compound Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
• PubChem CID: 58756122
• Molecular Formula: C49H52N12Pt2
• Molecular Weight: 1199.19 g/mol
• Exact Mass: 1198.37
• IUPAC Name: 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
• SMILES: CC(C)(C)c1cc(-c2cccc(C(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2]
• InChI: InChI=1S/C49H52N12.2Pt/c1-45(2,3)41-25-33(54-58-41)29-17-13-21-37(50-29)49(38-22-14-18-30(51-38)34-26-42(59-55-34)46(4,5)6,39-23-15-19-31(52-39)35-27-43(60-56-35)47(7,8)9)40-24-16-20-32(53-40)36-28-44(61-57-36)48(10,11)12;;/h13-28H,1-12H3;;/q-4;2*+2
• InChIKey: YGDGIKFSPRDJJM-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 159.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.19
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))?

The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)) (CID 58756122) is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)).

What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))?

The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)) is CC(C)(C)c1cc(-c2cccc(C(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2].

What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))?

The InChIKey is YGDGIKFSPRDJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N12.2Pt/c1-45(2,3)41-25-33(54-58-41)29-17-13-21-37(50-29)49(38-22-14-18-30(51-38)34-26-42(59-55-34)46(4,5)6,39-23-15-19-31(52-39)35-27-43(60-56-35)47(7,8)9)40-24-16-20-32(53-40)36-28-44(61-57-36)48(10,11)12;;/h13-28H,1-12H3;;/q-4;2*+2.

What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))?

2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)) has a molecular weight of 1199.19 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+)) is sourced from PubChem (CID 58756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).