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

C64H64N3OPt- — CID 153477699

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153477699) has the molecular formula C64H64N3OPt- and a molecular weight of 1086.31 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153477699
• Molecular Formula: C64H64N3OPt-
• Molecular Weight: 1086.31 g/mol
• Exact Mass: 1085.47
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)Cc1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C64H64N3O.Pt/c1-41(2)33-47-37-52(29-30-53(47)45-21-16-13-17-22-45)67-58-24-18-23-54(59(58)66-61(67)55-39-51(63(6,7)8)40-56(60(55)68)64(9,10)11)48-34-49(36-50(35-48)62(3,4)5)57-38-46(31-32-65-57)44-27-25-43(26-28-44)42-19-14-12-15-20-42;/h12-32,35-41,68H,33H2,1-11H3;/q-1
• InChIKey: DFIHZOJDRAYWKW-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.31
LogP ≤ 5	17.02
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-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 153477699) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum is CC(C)Cc1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1.[Pt].

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

The InChIKey is DFIHZOJDRAYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N3O.Pt/c1-41(2)33-47-37-52(29-30-53(47)45-21-16-13-17-22-45)67-58-24-18-23-54(59(58)66-61(67)55-39-51(63(6,7)8)40-56(60(55)68)64(9,10)11)48-34-49(36-50(35-48)62(3,4)5)57-38-46(31-32-65-57)44-27-25-43(26-28-44)42-19-14-12-15-20-42;/h12-32,35-41,68H,33H2,1-11H3;/q-1;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1086.31 g/mol, XLogP of 17.02, 9 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-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153477699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).