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

C60H56N3OPt- — CID 167332715

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

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum (PubChem CID 167332715) has the molecular formula C60H56N3OPt- and a molecular weight of 1030.21 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
• PubChem CID: 167332715
• Molecular Formula: C60H56N3OPt-
• Molecular Weight: 1030.21 g/mol
• Exact Mass: 1029.41
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C60H56N3O.Pt/c1-58(2,3)45-28-29-53(49(36-45)40-22-15-11-16-23-40)63-54-27-19-26-48(55(54)62-57(63)51-38-47(60(7,8)9)37-50(56(51)64)41-24-17-12-18-25-41)43-32-44(34-46(33-43)59(4,5)6)52-35-42(30-31-61-52)39-20-13-10-14-21-39;/h10-31,33-38,64H,1-9H3;/q-1
• InChIKey: ABXZGFOLYYRBQG-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.21
LogP ≤ 5	15.82
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 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum (CID 167332715) is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

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

The InChIKey is ABXZGFOLYYRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N3O.Pt/c1-58(2,3)45-28-29-53(49(36-45)40-22-15-11-16-23-40)63-54-27-19-26-48(55(54)62-57(63)51-38-47(60(7,8)9)37-50(56(51)64)41-24-17-12-18-25-41)43-32-44(34-46(33-43)59(4,5)6)52-35-42(30-31-61-52)39-20-13-10-14-21-39;/h10-31,33-38,64H,1-9H3;/q-1;.

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

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum has a molecular weight of 1030.21 g/mol, XLogP of 15.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum is sourced from PubChem (CID 167332715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).