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

C68H72N3OPt- — CID 171425024

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILES[2H]c1cc(-c2ccc(-c3ccccc3C(C)(C)C)cc2)cc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)n1.[Pt]
InChIInChI=1S/C68H72N3O.Pt/c1-64(2,3)49-32-33-59(54(40-49)44-22-17-16-18-23-44)71-60-27-21-25-53(61(60)70-63(71)55-41-51(66(7,8)9)42-57(62(55)72)68(13,14)15)47-36-48(38-50(37-47)65(4,5)6)58-39-46(34-35-69-58)43-28-30-45(31-29-43)52-24-19-20-26-56(52)67(10,11)12;/h16-35,37-42,72H,1-15H3;/q-1;/i35D;
InChIKeyJQLROEPJRBZJHF-MAZQNIOJSA-N
MW1143.43 g/mol
LogP18.41
Rot. Bonds7

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 171425024) has the molecular formula C68H72N3OPt- and a molecular weight of 1143.43 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
PubChem CID171425024
Molecular FormulaC68H72N3OPt-
Molecular Weight1143.43 g/mol
Exact Mass1142.54
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILES[2H]c1cc(-c2ccc(-c3ccccc3C(C)(C)C)cc2)cc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)n1.[Pt]
InChIInChI=1S/C68H72N3O.Pt/c1-64(2,3)49-32-33-59(54(40-49)44-22-17-16-18-23-44)71-60-27-21-25-53(61(60)70-63(71)55-41-51(66(7,8)9)42-57(62(55)72)68(13,14)15)47-36-48(38-50(37-47)65(4,5)6)58-39-46(34-35-69-58)43-28-30-45(31-29-43)52-24-19-20-26-56(52)67(10,11)12;/h16-35,37-42,72H,1-15H3;/q-1;/i35D;
InChIKeyJQLROEPJRBZJHF-MAZQNIOJSA-N
XLogP18.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.43
LogP ≤ 518.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 171425024) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is [2H]c1cc(-c2ccc(-c3ccccc3C(C)(C)C)cc2)cc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)n1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is JQLROEPJRBZJHF-MAZQNIOJSA-N. The full InChI is InChI=1S/C68H72N3O.Pt/c1-64(2,3)49-32-33-59(54(40-49)44-22-17-16-18-23-44)71-60-27-21-25-53(61(60)70-63(71)55-41-51(66(7,8)9)42-57(62(55)72)68(13,14)15)47-36-48(38-50(37-47)65(4,5)6)58-39-46(34-35-69-58)43-28-30-45(31-29-43)52-24-19-20-26-56(52)67(10,11)12;/h16-35,37-42,72H,1-15H3;/q-1;/i35D;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1143.43 g/mol, XLogP of 18.41, 7 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-[4-(2-tert-butylphenyl)phenyl]-6-deuterio-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).