2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C71H68N3OPt- — CID 164713060

About 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164713060) has the molecular formula C71H68N3OPt- and a molecular weight of 1176.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164713060
• Molecular Formula: C71H68N3OPt-
• Molecular Weight: 1176.44 g/mol
• Exact Mass: 1175.51
• IUPAC Name: 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.[Pt]
• InChI: InChI=1S/C71H68N3O.Pt/c1-69(2,3)58-45-61(67(75)62(46-58)70(4,5)6)68-73-66-59(29-20-30-65(66)74(68)64-36-31-48(39-47-21-18-19-22-47)40-60(64)51-25-14-10-15-26-51)54-41-53(49-23-12-9-13-24-49)42-55(43-54)63-44-52(37-38-72-63)50-32-34-57(35-33-50)71(7,8)56-27-16-11-17-28-56;/h9-17,20,23-38,40-42,44-47,75H,18-19,21-22,39H2,1-8H3;/q-1;/i39D2
• InChIKey: YENMBVRVMXAAHW-YHIROIDXSA-N
• XLogP: 18.58
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.44
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164713060) is 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is YENMBVRVMXAAHW-YHIROIDXSA-N. The full InChI is InChI=1S/C71H68N3O.Pt/c1-69(2,3)58-45-61(67(75)62(46-58)70(4,5)6)68-73-66-59(29-20-30-65(66)74(68)64-36-31-48(39-47-21-18-19-22-47)40-60(64)51-25-14-10-15-26-51)54-41-53(49-23-12-9-13-24-49)42-55(43-54)63-44-52(37-38-72-63)50-32-34-57(35-33-50)71(7,8)56-27-16-11-17-28-56;/h9-17,20,23-38,40-42,44-47,75H,18-19,21-22,39H2,1-8H3;/q-1;/i39D2;.

What are the key properties of 2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1176.44 g/mol, XLogP of 18.58, 11 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-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164713060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).