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

C61H42N3OPt- — CID 153480660

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

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153480660) has the molecular formula C61H42N3OPt- and a molecular weight of 1031.12 g/mol. Its IUPAC name is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153480660
• Molecular Formula: C61H42N3OPt-
• Molecular Weight: 1031.12 g/mol
• Exact Mass: 1030.32
• IUPAC Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C61H42N3O.Pt/c1-41-35-55(47-23-12-5-13-24-47)58(40-54(41)46-21-10-4-11-22-46)64-57-27-16-26-52(60(57)63-61(64)53-25-14-15-28-59(53)65)50-36-49(43-19-8-3-9-20-43)37-51(38-50)56-39-48(33-34-62-56)45-31-29-44(30-32-45)42-17-6-2-7-18-42;/h2-37,39-40,65H,1H3;/q-1;/i1D3
• InChIKey: LIJNCUHVBZZJAK-NIIDSAIPSA-N
• XLogP: 15.57
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.12
LogP ≤ 5	15.57
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-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153480660) is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-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-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt].

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

The InChIKey is LIJNCUHVBZZJAK-NIIDSAIPSA-N. The full InChI is InChI=1S/C61H42N3O.Pt/c1-41-35-55(47-23-12-5-13-24-47)58(40-54(41)46-21-10-4-11-22-46)64-57-27-16-26-52(60(57)63-61(64)53-25-14-15-28-59(53)65)50-36-49(43-19-8-3-9-20-43)37-51(38-50)56-39-48(33-34-62-56)45-31-29-44(30-32-45)42-17-6-2-7-18-42;/h2-37,39-40,65H,1H3;/q-1;/i1D3;.

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

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1031.12 g/mol, XLogP of 15.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153480660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).