2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)

C41H44N2Pt — CID 162771088

About 2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)

2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) (PubChem CID 162771088) has the molecular formula C41H44N2Pt and a molecular weight of 759.90 g/mol. Its IUPAC name is 2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)
• PubChem CID: 162771088
• Molecular Formula: C41H44N2Pt
• Molecular Weight: 759.90 g/mol
• Exact Mass: 759.32
• IUPAC Name: 2-[3-(4,4-dimethylcyclohexyl)benzene-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(C3CCC(C)(C)CC3)c2)cc1C.[Pt+2]
• InChI: InChI=1S/C21H26N.C20H18N.Pt/c1-15-12-20(22-14-16(15)2)19-7-5-6-18(13-19)17-8-10-21(3,4)11-9-17;1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;/h5-6,12-14,17H,8-11H2,1-4H3;4-7,9-13H,1-3H3;/q2*-1;+2
• InChIKey: GNNJZQGMVRGTOH-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.90
LogP ≤ 5	10.99
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-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

The IUPAC name of 2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) (CID 162771088) is 2-[3-(4,4-dimethylcyclohexyl)benzene-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-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+)?

The canonical SMILES for 2-[3-(4,4-dimethylcyclohexyl)benzene-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(C3CCC(C)(C)CC3)c2)cc1C.[Pt+2].

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

The InChIKey is GNNJZQGMVRGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N.C20H18N.Pt/c1-15-12-20(22-14-16(15)2)19-7-5-6-18(13-19)17-8-10-21(3,4)11-9-17;1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;/h5-6,12-14,17H,8-11H2,1-4H3;4-7,9-13H,1-3H3;/q2*-1;+2.

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

2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) has a molecular weight of 759.90 g/mol, XLogP of 10.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-4,5-dimethylpyridine;4-(2,4-dimethylphenyl)-5-methyl-2-phenylpyridine;platinum(2+) is sourced from PubChem (CID 162771088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).