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

C71H62N3OPt- — CID 164713271

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum (PubChem CID 164713271) has the molecular formula C71H62N3OPt- and a molecular weight of 1168.37 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum
• PubChem CID: 164713271
• Molecular Formula: C71H62N3OPt-
• Molecular Weight: 1168.37 g/mol
• Exact Mass: 1167.45
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc(C(C)(C)c4ccccc4)c3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C71H62N3O.Pt/c1-69(2,3)56-35-36-64(60(46-56)48-25-15-10-16-26-48)74-65-34-22-33-59(66(65)73-68(74)62-44-52(47-23-13-9-14-24-47)43-61(67(62)75)49-27-17-11-18-28-49)53-39-54(42-58(41-53)70(4,5)6)63-45-51(37-38-72-63)50-29-21-32-57(40-50)71(7,8)55-30-19-12-20-31-55;/h9-38,40-46,75H,1-8H3;/q-1
• InChIKey: WHDHFAOUWVKNHP-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.37
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum (CID 164713271) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum.

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

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum is CC(C)(C)c1cc(-c2cc(-c3cccc(C(C)(C)c4ccccc4)c3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

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

The InChIKey is WHDHFAOUWVKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H62N3O.Pt/c1-69(2,3)56-35-36-64(60(46-56)48-25-15-10-16-26-48)74-65-34-22-33-59(66(65)73-68(74)62-44-52(47-23-13-9-14-24-47)43-61(67(62)75)49-27-17-11-18-28-49)53-39-54(42-58(41-53)70(4,5)6)63-45-51(37-38-72-63)50-29-21-32-57(40-50)71(7,8)55-30-19-12-20-31-55;/h9-38,40-46,75H,1-8H3;/q-1;.

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

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum has a molecular weight of 1168.37 g/mol, XLogP of 18.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-diphenylphenol;platinum is sourced from PubChem (CID 164713271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).