4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C70H64N3OPt- — CID 164713183

About 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164713183) has the molecular formula C70H64N3OPt- and a molecular weight of 1162.40 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164713183
• Molecular Formula: C70H64N3OPt-
• Molecular Weight: 1162.40 g/mol
• Exact Mass: 1161.50
• IUPAC Name: 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C1(c2ccccc2)CCC([2H])(c2ccc(-c3ccnc(-c4[c-]c(-c5cccc6c5nc(-c5cc(C(C)(C)C)ccc5O)n6-c5ccc(C([2H])([2H])C6CCCC6)cc5-c5ccccc5)cc(-c5ccccc5)c4)c3)cc2)CC1.[Pt]
• InChI: InChI=1S/C70H64N3O.Pt/c1-70(2,3)60-35-37-67(74)63(46-60)69-72-68-61(24-15-25-66(68)73(69)65-36-26-48(40-47-16-13-14-17-47)41-62(65)55-22-11-6-12-23-55)58-42-57(50-20-9-5-10-21-50)43-59(44-58)64-45-56(38-39-71-64)54-33-31-53(32-34-54)52-29-27-51(28-30-52)49-18-7-4-8-19-49;/h4-12,15,18-26,31-39,41-43,45-47,51-52,74H,13-14,16-17,27-30,40H2,1-3H3;/q-1;/i40D2,51D,52D
• InChIKey: LTYWJZGWACCPAP-LNIJSIJUSA-N
• XLogP: 18.40
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.40
LogP ≤ 5	18.40
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 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164713183) is 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C1(c2ccccc2)CCC([2H])(c2ccc(-c3ccnc(-c4[c-]c(-c5cccc6c5nc(-c5cc(C(C)(C)C)ccc5O)n6-c5ccc(C([2H])([2H])C6CCCC6)cc5-c5ccccc5)cc(-c5ccccc5)c4)c3)cc2)CC1.[Pt].

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

The InChIKey is LTYWJZGWACCPAP-LNIJSIJUSA-N. The full InChI is InChI=1S/C70H64N3O.Pt/c1-70(2,3)60-35-37-67(74)63(46-60)69-72-68-61(24-15-25-66(68)73(69)65-36-26-48(40-47-16-13-14-17-47)41-62(65)55-22-11-6-12-23-55)58-42-57(50-20-9-5-10-21-50)43-59(44-58)64-45-56(38-39-71-64)54-33-31-53(32-34-54)52-29-27-51(28-30-52)49-18-7-4-8-19-49;/h4-12,15,18-26,31-39,41-43,45-47,51-52,74H,13-14,16-17,27-30,40H2,1-3H3;/q-1;/i40D2,51D,52D;.

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

4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1162.40 g/mol, XLogP of 18.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164713183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).