8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum

C63H49N4O2Pt- — CID 170543616

About 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum

8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum (PubChem CID 170543616) has the molecular formula C63H49N4O2Pt- and a molecular weight of 1089.19 g/mol. Its IUPAC name is 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum.

Molecular Properties

• Compound Name: 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum
• PubChem CID: 170543616
• Molecular Formula: C63H49N4O2Pt-
• Molecular Weight: 1089.19 g/mol
• Exact Mass: 1088.35
• IUPAC Name: 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)c5oc6c(C#N)c(-c7ccccc7)ccc6c5c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C63H49N4O2.Pt/c1-62(2,3)44-36-51(58(68)53(37-44)63(4,5)6)61-66-57-47(26-18-28-56(57)67(61)55-27-17-16-25-46(55)41-23-14-9-15-24-41)43-33-49-48-30-29-45(40-21-12-8-13-22-40)52(38-64)59(48)69-60(49)50(34-43)54-35-42(31-32-65-54)39-19-10-7-11-20-39;/h7-33,35-37,68H,1-6H3;/q-1
• InChIKey: MXHLRJUGMOSVLX-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 87.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.19
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum?

The IUPAC name of 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum (CID 170543616) is 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum.

What is the SMILES notation for 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum?

The canonical SMILES for 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)c5oc6c(C#N)c(-c7ccccc7)ccc6c5c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum?

The InChIKey is MXHLRJUGMOSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N4O2.Pt/c1-62(2,3)44-36-51(58(68)53(37-44)63(4,5)6)61-66-57-47(26-18-28-56(57)67(61)55-27-17-16-25-46(55)41-23-14-9-15-24-41)43-33-49-48-30-29-45(40-21-12-8-13-22-40)52(38-64)59(48)69-60(49)50(34-43)54-35-42(31-32-65-54)39-19-10-7-11-20-39;/h7-33,35-37,68H,1-6H3;/q-1;.

What are the key properties of 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum?

8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum has a molecular weight of 1089.19 g/mol, XLogP of 16.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-3-phenyl-6-(4-phenyl-2-pyridinyl)-7H-dibenzofuran-7-ide-4-carbonitrile;platinum is sourced from PubChem (CID 170543616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).