2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)

C52H61N3O2Pt — CID 164704612

About 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)

2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+) (PubChem CID 164704612) has the molecular formula C52H61N3O2Pt and a molecular weight of 955.16 g/mol. Its IUPAC name is 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)
• PubChem CID: 164704612
• Molecular Formula: C52H61N3O2Pt
• Molecular Weight: 955.16 g/mol
• Exact Mass: 954.44
• IUPAC Name: 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(Oc3cc(-c4ccc(C(C)(C)C)cc4C(C)(C)C)ccn3)ccc2)[c-]c(-n2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cn2)c1.[Pt+2]
• InChI: InChI=1S/C52H61N3O2.Pt/c1-48(2,3)37-19-20-45(46(29-37)52(13,14)15)34-21-22-53-47(25-34)57-43-18-16-17-42(31-43)56-44-28-40(51(10,11)12)27-41(30-44)55-33-36(32-54-55)35-23-38(49(4,5)6)26-39(24-35)50(7,8)9;/h16-29,32-33H,1-15H3;/q-2;+2
• InChIKey: HMYZLIAQQVPYOM-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.16
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)?

The IUPAC name of 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+) (CID 164704612) is 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+).

What is the SMILES notation for 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)?

The canonical SMILES for 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(Oc3cc(-c4ccc(C(C)(C)C)cc4C(C)(C)C)ccn3)ccc2)[c-]c(-n2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cn2)c1.[Pt+2].

What is the InChIKey of 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)?

The InChIKey is HMYZLIAQQVPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H61N3O2.Pt/c1-48(2,3)37-19-20-45(46(29-37)52(13,14)15)34-21-22-53-47(25-34)57-43-18-16-17-42(31-43)56-44-28-40(51(10,11)12)27-41(30-44)55-33-36(32-54-55)35-23-38(49(4,5)6)26-39(24-35)50(7,8)9;/h16-29,32-33H,1-15H3;/q-2;+2.

What are the key properties of 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)?

2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+) has a molecular weight of 955.16 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+) is sourced from PubChem (CID 164704612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).