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

C66H60N3OPt- — CID 153482262

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

2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153482262) has the molecular formula C66H60N3OPt- and a molecular weight of 1124.41 g/mol. Its IUPAC name is 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153482262
• Molecular Formula: C66H60N3OPt-
• Molecular Weight: 1124.41 g/mol
• Exact Mass: 1123.55
• IUPAC Name: 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])C(c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(CC(C)C)cc2-c2ccccc2)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/C66H60N3O.Pt/c1-43(2)35-44-27-32-60(56(36-44)49-23-16-11-17-24-49)69-61-26-18-25-55(62(61)68-64(69)57-41-54(65(3,4)5)42-58(63(57)70)66(6,7)8)52-37-51(46-21-14-10-15-22-46)38-53(39-52)59-40-50(33-34-67-59)48-30-28-47(29-31-48)45-19-12-9-13-20-45;/h9-34,36-38,40-43,70H,35H2,1-8H3;/q-1;/i3D3,4D3,5D3,6D3,7D3,8D3
• InChIKey: IMVOHKONFWYGGA-DLFGYHNLSA-N
• XLogP: 17.39
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.41
LogP ≤ 5	17.39
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-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153482262) is 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])C(c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(CC(C)C)cc2-c2ccccc2)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-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is IMVOHKONFWYGGA-DLFGYHNLSA-N. The full InChI is InChI=1S/C66H60N3O.Pt/c1-43(2)35-44-27-32-60(56(36-44)49-23-16-11-17-24-49)69-61-26-18-25-55(62(61)68-64(69)57-41-54(65(3,4)5)42-58(63(57)70)66(6,7)8)52-37-51(46-21-14-10-15-22-46)38-53(39-52)59-40-50(33-34-67-59)48-30-28-47(29-31-48)45-19-12-9-13-20-45;/h9-34,36-38,40-43,70H,35H2,1-8H3;/q-1;/i3D3,4D3,5D3,6D3,7D3,8D3;.

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

2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1124.41 g/mol, XLogP of 17.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[1-[4-(2-methylpropyl)-2-phenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153482262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).