1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum

C62H57N2O3Pt- — CID 171468296

About 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum

1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum (PubChem CID 171468296) has the molecular formula C62H57N2O3Pt- and a molecular weight of 1073.23 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum.

Molecular Properties

• Compound Name: 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum
• PubChem CID: 171468296
• Molecular Formula: C62H57N2O3Pt-
• Molecular Weight: 1073.23 g/mol
• Exact Mass: 1072.40
• IUPAC Name: 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C(C)(C)C)c2)c2nc(-c3cc4oc5ccccc5c4c(C(C)(C)C)c3O)oc12.[Pt]
• InChI: InChI=1S/C62H57N2O3.Pt/c1-36(2)48-32-41(39-21-15-12-16-22-39)33-49(37(3)4)54(48)47-26-25-45(42-29-43(31-44(30-42)61(5,6)7)51-34-40(27-28-63-51)38-19-13-11-14-20-38)57-59(47)67-60(64-57)50-35-53-55(56(58(50)65)62(8,9)10)46-23-17-18-24-52(46)66-53;/h11-28,30-37,65H,1-10H3;/q-1
• InChIKey: LFAJOXNUBDSWQT-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.23
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	1
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 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum?

The IUPAC name of 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum (CID 171468296) is 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum.

What is the SMILES notation for 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum?

The canonical SMILES for 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C(C)(C)C)c2)c2nc(-c3cc4oc5ccccc5c4c(C(C)(C)C)c3O)oc12.[Pt].

What is the InChIKey of 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum?

The InChIKey is LFAJOXNUBDSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N2O3.Pt/c1-36(2)48-32-41(39-21-15-12-16-22-39)33-49(37(3)4)54(48)47-26-25-45(42-29-43(31-44(30-42)61(5,6)7)51-34-40(27-28-63-51)38-19-13-11-14-20-38)57-59(47)67-60(64-57)50-35-53-55(56(58(50)65)62(8,9)10)46-23-17-18-24-52(46)66-53;/h11-28,30-37,65H,1-10H3;/q-1;.

What are the key properties of 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum?

1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum has a molecular weight of 1073.23 g/mol, XLogP of 17.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum is sourced from PubChem (CID 171468296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).