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

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

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum (PubChem CID 167355723) has the molecular formula C66H59FN3OPt- and a molecular weight of 1124.29 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum.

Molecular Properties

Compound Name	4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum
PubChem CID	167355723
Molecular Formula	C66H59FN3OPt-
Molecular Weight	1124.29 g/mol
Exact Mass	1123.43
IUPAC Name	4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum
SMILES	CC(C)(C)c1cc(-c2cc(-c3cccc(F)c3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
InChI	InChI=1S/C66H59FN3O.Pt/c1-64(2,3)48-30-31-59(55(39-48)43-22-14-11-15-23-43)70-60-29-19-28-53(46-34-47(36-49(35-46)65(4,5)6)58-38-45(32-33-68-58)44-24-18-25-51(67)37-44)61(60)69-63(70)57-41-50(66(7,8)9)40-56(62(57)71)54-27-17-16-26-52(54)42-20-12-10-13-21-42;/h10-33,35-41,71H,1-9H3;/q-1;
InChIKey	GCNJEAWAUMTIER-UHFFFAOYSA-N
XLogP	17.62
TPSA	50.94 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	72
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.29
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum (CID 167355723) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum.

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

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

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

The InChIKey is GCNJEAWAUMTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59FN3O.Pt/c1-64(2,3)48-30-31-59(55(39-48)43-22-14-11-15-23-43)70-60-29-19-28-53(46-34-47(36-49(35-46)65(4,5)6)58-38-45(32-33-68-58)44-24-18-25-51(67)37-44)61(60)69-63(70)57-41-50(66(7,8)9)40-56(62(57)71)54-27-17-16-26-52(54)42-20-12-10-13-21-42;/h10-33,35-41,71H,1-9H3;/q-1;.

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

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum has a molecular weight of 1124.29 g/mol, XLogP of 17.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(3-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum is sourced from PubChem (CID 167355723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).