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

C44H32N3OPt- — CID 164742307

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

2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164742307) has the molecular formula C44H32N3OPt- and a molecular weight of 813.84 g/mol. Its IUPAC name is 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164742307
• Molecular Formula: C44H32N3OPt-
• Molecular Weight: 813.84 g/mol
• Exact Mass: 813.22
• IUPAC Name: 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(c1ccccc1)c1cccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4)ccc3)c2)c1.[Pt]
• InChI: InChI=1S/C44H32N3O.Pt/c1-30(31-13-4-2-5-14-31)32-15-10-16-33(27-32)34-25-26-45-40(29-34)36-18-11-17-35(28-36)38-22-12-23-41-43(38)46-44(39-21-8-9-24-42(39)48)47(41)37-19-6-3-7-20-37;/h2-27,29-30,48H,1H3;/q-1
• InChIKey: CODUJHGLONIUHM-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.84
LogP ≤ 5	10.74
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-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 164742307) is 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)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-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(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-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is CODUJHGLONIUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N3O.Pt/c1-30(31-13-4-2-5-14-31)32-15-10-16-33(27-32)34-25-26-45-40(29-34)36-18-11-17-35(28-36)38-22-12-23-41-43(38)46-44(39-21-8-9-24-42(39)48)47(41)37-19-6-3-7-20-37;/h2-27,29-30,48H,1H3;/q-1;.

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

2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 813.84 g/mol, XLogP of 10.74, 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-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).