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

C58H42N3O2Pt- — CID 170543443

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

4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum (PubChem CID 170543443) has the molecular formula C58H42N3O2Pt- and a molecular weight of 1008.07 g/mol. Its IUPAC name is 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum.

Molecular Properties

• Compound Name: 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum
• PubChem CID: 170543443
• Molecular Formula: C58H42N3O2Pt-
• Molecular Weight: 1008.07 g/mol
• Exact Mass: 1007.29
• IUPAC Name: 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2c(-c5ccccc5)cccc24)n3-c2ccccc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C58H42N3O2.Pt/c1-58(2,3)43-34-41(33-42(35-43)49-36-40(31-32-59-49)37-17-7-4-8-18-37)45-24-16-28-51-54(45)60-57(61(51)50-27-14-13-23-44(50)38-19-9-5-10-20-38)53-52(62)30-29-48-47-26-15-25-46(55(47)63-56(48)53)39-21-11-6-12-22-39;/h4-32,34-36,62H,1-3H3;/q-1
• InChIKey: GQUYCHVAJWUNMH-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.07
LogP ≤ 5	15.12
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-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum?

The IUPAC name of 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum (CID 170543443) is 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum.

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

The canonical SMILES for 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2c(O)ccc4c2oc2c(-c5ccccc5)cccc24)n3-c2ccccc2-c2ccccc2)c1.[Pt].

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

The InChIKey is GQUYCHVAJWUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N3O2.Pt/c1-58(2,3)43-34-41(33-42(35-43)49-36-40(31-32-59-49)37-17-7-4-8-18-37)45-24-16-28-51-54(45)60-57(61(51)50-27-14-13-23-44(50)38-19-9-5-10-20-38)53-52(62)30-29-48-47-26-15-25-46(55(47)63-56(48)53)39-21-11-6-12-22-39;/h4-32,34-36,62H,1-3H3;/q-1;.

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

4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum has a molecular weight of 1008.07 g/mol, XLogP of 15.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum is sourced from PubChem (CID 170543443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).