2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)

C34H32N2Pt — CID 58661087

About 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)

2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+) (PubChem CID 58661087) has the molecular formula C34H32N2Pt and a molecular weight of 663.72 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 58661087
• Molecular Formula: C34H32N2Pt
• Molecular Weight: 663.72 g/mol
• Exact Mass: 663.22
• IUPAC Name: 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc[c-]c(-c2cccc(-c3cccc4ccc(-c5cc(C(C)(C)C)ccn5)[c-]c34)n2)c1.[Pt+2]
• InChI: InChI=1S/C34H32N2.Pt/c1-33(2,3)26-12-7-11-24(20-26)30-14-9-15-31(36-30)28-13-8-10-23-16-17-25(21-29(23)28)32-22-27(18-19-35-32)34(4,5)6;/h7-10,12-20,22H,1-6H3;/q-2;+2
• InChIKey: LAVMOBGFTLMMOP-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.72
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+) (CID 58661087) is 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1cc[c-]c(-c2cccc(-c3cccc4ccc(-c5cc(C(C)(C)C)ccn5)[c-]c34)n2)c1.[Pt+2].

What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)?

The InChIKey is LAVMOBGFTLMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2.Pt/c1-33(2,3)26-12-7-11-24(20-26)30-14-9-15-31(36-30)28-13-8-10-23-16-17-25(21-29(23)28)32-22-27(18-19-35-32)34(4,5)6;/h7-10,12-20,22H,1-6H3;/q-2;+2.

What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)?

2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+) has a molecular weight of 663.72 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58661087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).