2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum

C42H47N2O2Pt- — CID 59449583

About 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum (PubChem CID 59449583) has the molecular formula C42H47N2O2Pt- and a molecular weight of 806.93 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum.

Molecular Properties

• Compound Name: 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
• PubChem CID: 59449583
• Molecular Formula: C42H47N2O2Pt-
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.33
• IUPAC Name: 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
• SMILES: CC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.[Pt]
• InChI: InChI=1S/C27H31NO2.C15H16N.Pt/c1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;4-7,9-11H,1-3H3;/q;-1
• InChIKey: LTWUKDUMLFQCDP-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 58.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?

The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum (CID 59449583) is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum.

What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?

The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum is CC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.[Pt].

What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?

The InChIKey is LTWUKDUMLFQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.C15H16N.Pt/c1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;4-7,9-11H,1-3H3;/q;-1;.

What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum has a molecular weight of 806.93 g/mol, XLogP of 9.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum is sourced from PubChem (CID 59449583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).