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

C58H68F2N3OPtSi- — CID 170533941

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(C(F)(F)CC[Si](C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
InChIInChI=1S/C58H68F2N3OSi.Pt/c1-54(2,3)40-24-25-49(45(33-40)37-20-17-16-18-21-37)63-50-23-19-22-44(51(50)62-53(63)46-34-43(56(7,8)9)35-47(52(46)64)57(10,11)12)38-30-39(32-42(31-38)55(4,5)6)48-36-41(26-28-61-48)58(59,60)27-29-65(13,14)15;/h16-26,28,31-36,64H,27,29H2,1-15H3;/q-1;
InChIKeyBFQBIXKLQGIEJM-UHFFFAOYSA-N
MW1084.36 g/mol
LogP16.60
Rot. Bonds9

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 170533941) has the molecular formula C58H68F2N3OPtSi- and a molecular weight of 1084.36 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
PubChem CID170533941
Molecular FormulaC58H68F2N3OPtSi-
Molecular Weight1084.36 g/mol
Exact Mass1083.48
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(C(F)(F)CC[Si](C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
InChIInChI=1S/C58H68F2N3OSi.Pt/c1-54(2,3)40-24-25-49(45(33-40)37-20-17-16-18-21-37)63-50-23-19-22-44(51(50)62-53(63)46-34-43(56(7,8)9)35-47(52(46)64)57(10,11)12)38-30-39(32-42(31-38)55(4,5)6)48-36-41(26-28-61-48)58(59,60)27-29-65(13,14)15;/h16-26,28,31-36,64H,27,29H2,1-15H3;/q-1;
InChIKeyBFQBIXKLQGIEJM-UHFFFAOYSA-N
XLogP16.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.36
LogP ≤ 516.60
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-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 170533941) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(C(F)(F)CC[Si](C)(C)C)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is BFQBIXKLQGIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H68F2N3OSi.Pt/c1-54(2,3)40-24-25-49(45(33-40)37-20-17-16-18-21-37)63-50-23-19-22-44(51(50)62-53(63)46-34-43(56(7,8)9)35-47(52(46)64)57(10,11)12)38-30-39(32-42(31-38)55(4,5)6)48-36-41(26-28-61-48)58(59,60)27-29-65(13,14)15;/h16-26,28,31-36,64H,27,29H2,1-15H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1084.36 g/mol, XLogP of 16.60, 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-(1,1-difluoro-3-trimethylsilylpropyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 170533941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).