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

C64H71F3N3OPtSi- — CID 169052759

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cc(C(F)(F)F)c([Si](C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c1.[Pt]
InChIInChI=1S/C64H71F3N3OSi.Pt/c1-38(2)46-24-20-25-47(39(3)4)57(46)41-28-29-68-53(33-41)43-30-42(31-44(32-43)61(5,6)7)48-26-21-27-54-58(48)69-60(50-34-45(62(8,9)10)35-52(59(50)71)63(11,12)13)70(54)55-37-51(64(65,66)67)56(72(14,15)16)36-49(55)40-22-18-17-19-23-40;/h17-29,31-39,71H,1-16H3;/q-1;
InChIKeyVMQJUMMGJCANNN-UHFFFAOYSA-N
MW1178.45 g/mol
LogP17.96
Rot. Bonds9

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 169052759) has the molecular formula C64H71F3N3OPtSi- and a molecular weight of 1178.45 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum
PubChem CID169052759
Molecular FormulaC64H71F3N3OPtSi-
Molecular Weight1178.45 g/mol
Exact Mass1177.50
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cc(C(F)(F)F)c([Si](C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c1.[Pt]
InChIInChI=1S/C64H71F3N3OSi.Pt/c1-38(2)46-24-20-25-47(39(3)4)57(46)41-28-29-68-53(33-41)43-30-42(31-44(32-43)61(5,6)7)48-26-21-27-54-58(48)69-60(50-34-45(62(8,9)10)35-52(59(50)71)63(11,12)13)70(54)55-37-51(64(65,66)67)56(72(14,15)16)36-49(55)40-22-18-17-19-23-40;/h17-29,31-39,71H,1-16H3;/q-1;
InChIKeyVMQJUMMGJCANNN-UHFFFAOYSA-N
XLogP17.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001178.45
LogP ≤ 517.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum (CID 169052759) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum is CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cc(C(F)(F)F)c([Si](C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is VMQJUMMGJCANNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H71F3N3OSi.Pt/c1-38(2)46-24-20-25-47(39(3)4)57(46)41-28-29-68-53(33-41)43-30-42(31-44(32-43)61(5,6)7)48-26-21-27-54-58(48)69-60(50-34-45(62(8,9)10)35-52(59(50)71)63(11,12)13)70(54)55-37-51(64(65,66)67)56(72(14,15)16)36-49(55)40-22-18-17-19-23-40;/h17-29,31-39,71H,1-16H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1178.45 g/mol, XLogP of 17.96, 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-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-5-(trifluoromethyl)-4-trimethylsilylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 169052759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).