4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum

C56H55N2O2Pt- — CID 164742530

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum (PubChem CID 164742530) has the molecular formula C56H55N2O2Pt- and a molecular weight of 983.15 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum
• PubChem CID: 164742530
• Molecular Formula: C56H55N2O2Pt-
• Molecular Weight: 983.15 g/mol
• Exact Mass: 982.39
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3oc(-c4cc(C(C)(C)C)cc(C(C)(C)c5ccccc5)c4O)nc23)c1.[Pt]
• InChI: InChI=1S/C56H55N2O2.Pt/c1-53(2,3)43-31-38(30-39(32-43)48-33-37(28-29-57-48)36-24-26-42(27-25-36)55(7,8)40-18-13-11-14-19-40)45-22-17-23-49-50(45)58-52(60-49)46-34-44(54(4,5)6)35-47(51(46)59)56(9,10)41-20-15-12-16-21-41;/h11-29,31-35,59H,1-10H3;/q-1
• InChIKey: SOVGXAGEXREPQM-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.15
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	1
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 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum (CID 164742530) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3oc(-c4cc(C(C)(C)C)cc(C(C)(C)c5ccccc5)c4O)nc23)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum?

The InChIKey is SOVGXAGEXREPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H55N2O2.Pt/c1-53(2,3)43-31-38(30-39(32-43)48-33-37(28-29-57-48)36-24-26-42(27-25-36)55(7,8)40-18-13-11-14-19-40)45-22-17-23-49-50(45)58-52(60-49)46-34-44(54(4,5)6)35-47(51(46)59)56(9,10)41-20-15-12-16-21-41;/h11-29,31-35,59H,1-10H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum?

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum has a molecular weight of 983.15 g/mol, XLogP of 14.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-6-(2-phenylpropan-2-yl)phenol;platinum is sourced from PubChem (CID 164742530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).