2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C45H34N3OPt- — CID 164742899

About 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164742899) has the molecular formula C45H34N3OPt- and a molecular weight of 827.87 g/mol. Its IUPAC name is 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742899
• Molecular Formula: C45H34N3OPt-
• Molecular Weight: 827.87 g/mol
• Exact Mass: 827.24
• IUPAC Name: 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(c1ccccc1)c1cccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)ccc3)c2)c1.[Pt]
• InChI: InChI=1S/C45H34N3O.Pt/c1-45(2,35-17-5-3-6-18-35)36-19-12-14-31(29-36)32-26-27-46-40(30-32)34-16-11-15-33(28-34)38-23-13-24-41-43(38)47-44(39-22-9-10-25-42(39)49)48(41)37-20-7-4-8-21-37;/h3-27,29-30,49H,1-2H3;/q-1
• InChIKey: DDAYQZQTGNYUPM-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.87
LogP ≤ 5	10.92
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-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164742899) is 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(c1ccccc1)c1cccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)ccc3)c2)c1.[Pt].

What is the InChIKey of 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is DDAYQZQTGNYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N3O.Pt/c1-45(2,35-17-5-3-6-18-35)36-19-12-14-31(29-36)32-26-27-46-40(30-32)34-16-11-15-33(28-34)38-23-13-24-41-43(38)47-44(39-22-9-10-25-42(39)49)48(41)37-20-7-4-8-21-37;/h3-27,29-30,49H,1-2H3;/q-1;.

What are the key properties of 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 827.87 g/mol, XLogP of 10.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).