3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum

C40H26N4Pt2S-4 — CID 164733681

About 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum

3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum (PubChem CID 164733681) has the molecular formula C40H26N4Pt2S-4 and a molecular weight of 984.90 g/mol. Its IUPAC name is 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum.

Molecular Properties

• Compound Name: 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum
• PubChem CID: 164733681
• Molecular Formula: C40H26N4Pt2S-4
• Molecular Weight: 984.90 g/mol
• Exact Mass: 984.12
• IUPAC Name: 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum
• SMILES: [Pt].[Pt].[c-]1cccc2sc[c-]c12.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C17H11N.C15H11N3.C8H4S.2Pt/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-4-8-7(3-1)5-6-9-8;;/h1-7,9-12H;1-11H;1-2,4,6H;;/q-2;;-2
• InChIKey: IGRKTHFYHJFDRT-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 51.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.90
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum?

The IUPAC name of 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum (CID 164733681) is 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum.

What is the SMILES notation for 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum?

The canonical SMILES for 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum is [Pt].[Pt].[c-]1cccc2sc[c-]c12.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum?

The InChIKey is IGRKTHFYHJFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.C15H11N3.C8H4S.2Pt/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-4-8-7(3-1)5-6-9-8;;/h1-7,9-12H;1-11H;1-2,4,6H;;/q-2;;-2;;.

What are the key properties of 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum?

3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum has a molecular weight of 984.90 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-1-benzothiophene-3,4-diide;2,6-dipyridin-2-ylpyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;platinum is sourced from PubChem (CID 164733681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).