2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum

C58H60N3OPt- — CID 153479318

About 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum (PubChem CID 153479318) has the molecular formula C58H60N3OPt- and a molecular weight of 1028.33 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
• PubChem CID: 153479318
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1028.33 g/mol
• Exact Mass: 1027.55
• IUPAC Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])C(c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(-c3ccccc3)c(CC(C)C)c2)c(O)c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C58H60N3O.Pt/c1-37(2)29-41-33-46(25-26-47(41)39-21-16-13-17-22-39)61-52-24-18-23-48(53(52)60-55(61)49-35-45(57(6,7)8)36-50(54(49)62)58(9,10)11)42-30-43(32-44(31-42)56(3,4)5)51-34-40(27-28-59-51)38-19-14-12-15-20-38;/h12-28,31-37,62H,29H2,1-11H3;/q-1;/i6D3,7D3,8D3,9D3,10D3,11D3
• InChIKey: TYTVNWLTPQQSFS-GVNPPSESSA-N
• XLogP: 15.35
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.33
LogP ≤ 5	15.35
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-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum (CID 153479318) is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum is [2H]C([2H])([2H])C(c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(-c3ccccc3)c(CC(C)C)c2)c(O)c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum?

The InChIKey is TYTVNWLTPQQSFS-GVNPPSESSA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-37(2)29-41-33-46(25-26-47(41)39-21-16-13-17-22-39)61-52-24-18-23-48(53(52)60-55(61)49-35-45(57(6,7)8)36-50(54(49)62)58(9,10)11)42-30-43(32-44(31-42)56(3,4)5)51-34-40(27-28-59-51)38-19-14-12-15-20-38;/h12-28,31-37,62H,29H2,1-11H3;/q-1;/i6D3,7D3,8D3,9D3,10D3,11D3;.

What are the key properties of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum has a molecular weight of 1028.33 g/mol, XLogP of 15.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol;platinum is sourced from PubChem (CID 153479318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).