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

C64H64N3OPt- — CID 153479761

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

2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153479761) has the molecular formula C64H64N3OPt- and a molecular weight of 1086.31 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153479761
• Molecular Formula: C64H64N3OPt-
• Molecular Weight: 1086.31 g/mol
• Exact Mass: 1085.47
• IUPAC Name: 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)c(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C64H64N3O.Pt/c1-61(2,3)48-35-46(34-47(36-48)56-37-45(32-33-65-56)43-28-26-42(27-29-43)41-20-15-13-16-21-41)52-24-19-25-57-58(52)66-60(53-38-49(62(4,5)6)39-55(59(53)68)64(10,11)12)67(57)50-30-31-51(44-22-17-14-18-23-44)54(40-50)63(7,8)9;/h13-33,35-40,68H,1-12H3;/q-1
• InChIKey: WFYKGZXWFJBUQP-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.31
LogP ≤ 5	17.12
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 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153479761) is 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)c(C(C)(C)C)c2)c1.[Pt].

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

The InChIKey is WFYKGZXWFJBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N3O.Pt/c1-61(2,3)48-35-46(34-47(36-48)56-37-45(32-33-65-56)43-28-26-42(27-29-43)41-20-15-13-16-21-41)52-24-19-25-57-58(52)66-60(53-38-49(62(4,5)6)39-55(59(53)68)64(10,11)12)67(57)50-30-31-51(44-22-17-14-18-23-44)54(40-50)63(7,8)9;/h13-33,35-40,68H,1-12H3;/q-1;.

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

2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1086.31 g/mol, XLogP of 17.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153479761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).