4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum

C62H50N3O2Pt- — CID 162783546

About 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum

4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum (PubChem CID 162783546) has the molecular formula C62H50N3O2Pt- and a molecular weight of 1064.18 g/mol. Its IUPAC name is 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum.

Molecular Properties

• Compound Name: 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum
• PubChem CID: 162783546
• Molecular Formula: C62H50N3O2Pt-
• Molecular Weight: 1064.18 g/mol
• Exact Mass: 1063.36
• IUPAC Name: 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2ccccc24)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C62H50N3O2.Pt/c1-61(2,3)46-28-30-53(51(38-46)42-18-11-8-12-19-42)65-54-22-15-21-48(58(54)64-60(65)57-55(66)31-29-50-49-20-13-14-23-56(49)67-59(50)57)44-34-45(36-47(35-44)62(4,5)6)52-37-43(32-33-63-52)41-26-24-40(25-27-41)39-16-9-7-10-17-39;/h7-33,35-38,66H,1-6H3;/q-1
• InChIKey: GRKRKWPSMRUDCG-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.18
LogP ≤ 5	16.42
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 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The IUPAC name of 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum (CID 162783546) is 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum.

What is the SMILES notation for 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The canonical SMILES for 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2ccccc24)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

The InChIKey is GRKRKWPSMRUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N3O2.Pt/c1-61(2,3)46-28-30-53(51(38-46)42-18-11-8-12-19-42)65-54-22-15-21-48(58(54)64-60(65)57-55(66)31-29-50-49-20-13-14-23-56(49)67-59(50)57)44-34-45(36-47(35-44)62(4,5)6)52-37-43(32-33-63-52)41-26-24-40(25-27-41)39-16-9-7-10-17-39;/h7-33,35-38,66H,1-6H3;/q-1;.

What are the key properties of 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum?

4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum has a molecular weight of 1064.18 g/mol, XLogP of 16.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 162783546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).