2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

C56H48N3OPt- — CID 153476827

About 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 153476827) has the molecular formula C56H48N3OPt- and a molecular weight of 977.12 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• PubChem CID: 153476827
• Molecular Formula: C56H48N3OPt-
• Molecular Weight: 977.12 g/mol
• Exact Mass: 976.36
• IUPAC Name: 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt]
• InChI: InChI=1S/C56H48N3O.Pt/c1-35(2)43-32-50(36(3)4)55(60)51(33-43)56-58-54-49(18-13-19-53(54)59(56)48-27-38(6)26-44(31-48)39-14-9-7-10-15-39)46-28-45(40-16-11-8-12-17-40)29-47(30-46)52-34-42(24-25-57-52)41-22-20-37(5)21-23-41;/h7-29,31-36,60H,1-6H3;/q-1;/i6D3
• InChIKey: OFONKHYXMHNBPQ-AZZWRUEWSA-N
• XLogP: 14.79
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.12
LogP ≤ 5	14.79
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-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The IUPAC name of 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 153476827) is 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

What is the SMILES notation for 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The canonical SMILES for 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt].

What is the InChIKey of 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The InChIKey is OFONKHYXMHNBPQ-AZZWRUEWSA-N. The full InChI is InChI=1S/C56H48N3O.Pt/c1-35(2)43-32-50(36(3)4)55(60)51(33-43)56-58-54-49(18-13-19-53(54)59(56)48-27-38(6)26-44(31-48)39-14-9-7-10-15-39)46-28-45(40-16-11-8-12-17-40)29-47(30-46)52-34-42(24-25-57-52)41-22-20-37(5)21-23-41;/h7-29,31-36,60H,1-6H3;/q-1;/i6D3;.

What are the key properties of 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 977.12 g/mol, XLogP of 14.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 153476827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).