2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum

C62H57N2O2PtS- — CID 171468513

About 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum

2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum (PubChem CID 171468513) has the molecular formula C62H57N2O2PtS- and a molecular weight of 1089.29 g/mol. Its IUPAC name is 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum
• PubChem CID: 171468513
• Molecular Formula: C62H57N2O2PtS-
• Molecular Weight: 1089.29 g/mol
• Exact Mass: 1088.38
• IUPAC Name: 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-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(-c3c(O)c(C(C)(C)C)cc4c3oc3ccccc34)sc12.[Pt]
• InChI: InChI=1S/C62H57N2O2S.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)52-34-40(27-28-63-52)38-19-13-11-14-20-38)56-59(47)67-60(64-56)55-57(65)51(62(8,9)10)35-50-46-23-17-18-24-53(46)66-58(50)55;/h11-28,30-37,65H,1-10H3;/q-1
• InChIKey: MBTHQLDENQXRCE-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 59.15 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	1089.29
LogP ≤ 5	17.94
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 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum?

The IUPAC name of 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum (CID 171468513) is 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum.

What is the SMILES notation for 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum?

The canonical SMILES for 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-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(-c3c(O)c(C(C)(C)C)cc4c3oc3ccccc34)sc12.[Pt].

What is the InChIKey of 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum?

The InChIKey is MBTHQLDENQXRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N2O2S.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)52-34-40(27-28-63-52)38-19-13-11-14-20-38)56-59(47)67-60(64-56)55-57(65)51(62(8,9)10)35-50-46-23-17-18-24-53(46)66-58(50)55;/h11-28,30-37,65H,1-10H3;/q-1;.

What are the key properties of 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum?

2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum has a molecular weight of 1089.29 g/mol, XLogP of 17.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[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-benzothiazol-2-yl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 171468513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).