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

C62H60N3OPt- — CID 153478877

IUPAC2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2c(-c3ccccc3)cccc2C(C)(C)C)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
InChIInChI=1S/C62H60N3O.Pt/c1-39-32-50(58(66)52(33-39)62(9,10)11)59-64-57-49(45-35-46(37-47(36-45)60(3,4)5)53-38-43(30-31-63-53)41-20-14-12-15-21-41)25-19-27-55(57)65(59)54-29-28-44(34-40(54)2)56-48(42-22-16-13-17-23-42)24-18-26-51(56)61(6,7)8;/h12-34,36-38,66H,1-11H3;/q-1;/i2D3;
InChIKeyHEUDZHZNPQUXNO-MUTAZJQDSA-N
MW1061.28 g/mol
LogP16.44
Rot. Bonds8

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

2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum (PubChem CID 153478877) has the molecular formula C62H60N3OPt- and a molecular weight of 1061.28 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum.

Molecular Properties

Compound Name2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
PubChem CID153478877
Molecular FormulaC62H60N3OPt-
Molecular Weight1061.28 g/mol
Exact Mass1060.46
IUPAC Name2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2c(-c3ccccc3)cccc2C(C)(C)C)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
InChIInChI=1S/C62H60N3O.Pt/c1-39-32-50(58(66)52(33-39)62(9,10)11)59-64-57-49(45-35-46(37-47(36-45)60(3,4)5)53-38-43(30-31-63-53)41-20-14-12-15-21-41)25-19-27-55(57)65(59)54-29-28-44(34-40(54)2)56-48(42-22-16-13-17-23-42)24-18-26-51(56)61(6,7)8;/h12-34,36-38,66H,1-11H3;/q-1;/i2D3;
InChIKeyHEUDZHZNPQUXNO-MUTAZJQDSA-N
XLogP16.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms67
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.28
LogP ≤ 516.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?
The IUPAC name of 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum (CID 153478877) is 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum.
What is the SMILES notation for 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?
The canonical SMILES for 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2c(-c3ccccc3)cccc2C(C)(C)C)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].
What is the InChIKey of 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?
The InChIKey is HEUDZHZNPQUXNO-MUTAZJQDSA-N. The full InChI is InChI=1S/C62H60N3O.Pt/c1-39-32-50(58(66)52(33-39)62(9,10)11)59-64-57-49(45-35-46(37-47(36-45)60(3,4)5)53-38-43(30-31-63-53)41-20-14-12-15-21-41)25-19-27-55(57)65(59)54-29-28-44(34-40(54)2)56-48(42-22-16-13-17-23-42)24-18-26-51(56)61(6,7)8;/h12-34,36-38,66H,1-11H3;/q-1;/i2D3;.
What are the key properties of 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?
2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum has a molecular weight of 1061.28 g/mol, XLogP of 16.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-[4-(2-tert-butyl-6-phenylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum is sourced from PubChem (CID 153478877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).