2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)

C36H40N2Pt — CID 58637610

About 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)

2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) (PubChem CID 58637610) has the molecular formula C36H40N2Pt and a molecular weight of 695.81 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)
• PubChem CID: 58637610
• Molecular Formula: C36H40N2Pt
• Molecular Weight: 695.81 g/mol
• Exact Mass: 695.28
• IUPAC Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(C(C)(C)C)cc5)n4)CCCCC3)n2)cc1.[Pt+2]
• InChI: InChI=1S/C36H40N2.Pt/c1-34(2,3)28-20-16-26(17-21-28)30-12-10-14-32(37-30)36(24-8-7-9-25-36)33-15-11-13-31(38-33)27-18-22-29(23-19-27)35(4,5)6;/h10-16,18,20-23H,7-9,24-25H2,1-6H3;/q-2;+2
• InChIKey: ZEGGYHPOLPKBOA-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.81
LogP ≤ 5	9.25
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-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) (CID 58637610) is 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+).

What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) is CC(C)(C)c1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(C(C)(C)C)cc5)n4)CCCCC3)n2)cc1.[Pt+2].

What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

The InChIKey is ZEGGYHPOLPKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2.Pt/c1-34(2,3)28-20-16-26(17-21-28)30-12-10-14-32(37-30)36(24-8-7-9-25-36)33-15-11-13-31(38-33)27-18-22-29(23-19-27)35(4,5)6;/h10-16,18,20-23H,7-9,24-25H2,1-6H3;/q-2;+2.

What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)?

2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) has a molecular weight of 695.81 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+) is sourced from PubChem (CID 58637610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).