2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)

C37H38N2Pt — CID 162771223

About 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)

2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) (PubChem CID 162771223) has the molecular formula C37H38N2Pt and a molecular weight of 705.80 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)
• PubChem CID: 162771223
• Molecular Formula: C37H38N2Pt
• Molecular Weight: 705.80 g/mol
• Exact Mass: 705.27
• IUPAC Name: 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)
• SMILES: Cc1ccc(-c2cc(-c3[c-]cccc3)ncc2C)c(C)c1.Cc1cnc(-c2[c-]ccc(C(C)(C)C)c2)cc1C.[Pt+2]
• InChI: InChI=1S/C20H18N.C17H20N.Pt/c1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;1-12-9-16(18-11-13(12)2)14-7-6-8-15(10-14)17(3,4)5;/h4-7,9-13H,1-3H3;6,8-11H,1-5H3;/q2*-1;+2
• InChIKey: DLJAGDVVCQCHPG-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.80
LogP ≤ 5	9.60
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)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) (CID 162771223) is 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+).

What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) is Cc1ccc(-c2cc(-c3[c-]cccc3)ncc2C)c(C)c1.Cc1cnc(-c2[c-]ccc(C(C)(C)C)c2)cc1C.[Pt+2].

What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

The InChIKey is DLJAGDVVCQCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C17H20N.Pt/c1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;1-12-9-16(18-11-13(12)2)14-7-6-8-15(10-14)17(3,4)5;/h4-7,9-13H,1-3H3;6,8-11H,1-5H3;/q2*-1;+2.

What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

2-(3-tert-butylbenzene-6-id-1-yl)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) has a molecular weight of 705.80 g/mol, XLogP of 9.60, 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)-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) is sourced from PubChem (CID 162771223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).