2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

C82H77BN5OPt- — CID 162781938

About 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum

2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (PubChem CID 162781938) has the molecular formula C82H77BN5OPt- and a molecular weight of 1354.44 g/mol. Its IUPAC name is 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• PubChem CID: 162781938
• Molecular Formula: C82H77BN5OPt-
• Molecular Weight: 1354.44 g/mol
• Exact Mass: 1353.59
• IUPAC Name: 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(B3N(c4ccccc4-c4ccccc4)c4ccccc4N3c3ccccc3-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C82H77BN5O.Pt/c1-79(2,3)59-43-44-70(66(50-59)56-33-20-15-21-34-56)86-75-42-28-37-65(76(75)85-78(86)67-51-61(81(7,8)9)52-68(77(67)89)82(10,11)12)57-47-58(49-60(48-57)80(4,5)6)69-53-62(45-46-84-69)83-87(71-38-24-22-35-63(71)54-29-16-13-17-30-54)73-40-26-27-41-74(73)88(83)72-39-25-23-36-64(72)55-31-18-14-19-32-55;/h13-46,48-53,89H,1-12H3;/q-1
• InChIKey: WSGZXPBJTPWGOC-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 57.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1354.44
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The IUPAC name of 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (CID 162781938) is 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.

What is the SMILES notation for 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The canonical SMILES for 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is CC(C)(C)c1cc(-c2cc(B3N(c4ccccc4-c4ccccc4)c4ccccc4N3c3ccccc3-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

The InChIKey is WSGZXPBJTPWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H77BN5O.Pt/c1-79(2,3)59-43-44-70(66(50-59)56-33-20-15-21-34-56)86-75-42-28-37-65(76(75)85-78(86)67-51-61(81(7,8)9)52-68(77(67)89)82(10,11)12)57-47-58(49-60(48-57)80(4,5)6)69-53-62(45-46-84-69)83-87(71-38-24-22-35-63(71)54-29-16-13-17-30-54)73-40-26-27-41-74(73)88(83)72-39-25-23-36-64(72)55-31-18-14-19-32-55;/h13-46,48-53,89H,1-12H3;/q-1;.

What are the key properties of 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum?

2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum has a molecular weight of 1354.44 g/mol, XLogP of 20.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborol-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum is sourced from PubChem (CID 162781938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).