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

C58H60N3OPt- — CID 153476843

About 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153476843) has the molecular formula C58H60N3OPt- and a molecular weight of 1010.22 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153476843
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1010.22 g/mol
• Exact Mass: 1009.44
• IUPAC Name: 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)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/C58H60N3O.Pt/c1-55(2,3)42-31-40(30-41(32-42)50-33-39(28-29-59-50)37-20-15-13-16-21-37)46-24-19-25-51-52(46)60-54(47-34-43(56(4,5)6)35-49(53(47)62)58(10,11)12)61(51)44-26-27-45(38-22-17-14-18-23-38)48(36-44)57(7,8)9;/h13-29,31-36,62H,1-12H3;/q-1
• InChIKey: ZCODLZZQQWVODA-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.22
LogP ≤ 5	15.45
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-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153476843) is 2,4-ditert-butyl-6-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-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-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is ZCODLZZQQWVODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-55(2,3)42-31-40(30-41(32-42)50-33-39(28-29-59-50)37-20-15-13-16-21-37)46-24-19-25-51-52(46)60-54(47-34-43(56(4,5)6)35-49(53(47)62)58(10,11)12)61(51)44-26-27-45(38-22-17-14-18-23-38)48(36-44)57(7,8)9;/h13-29,31-36,62H,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-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1010.22 g/mol, XLogP of 15.45, 6 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-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153476843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).