9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum

C48H39N4OPt-3 — CID 176782789

About 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum

9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum (PubChem CID 176782789) has the molecular formula C48H39N4OPt-3 and a molecular weight of 882.95 g/mol. Its IUPAC name is 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum.

Molecular Properties

• Compound Name: 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum
• PubChem CID: 176782789
• Molecular Formula: C48H39N4OPt-3
• Molecular Weight: 882.95 g/mol
• Exact Mass: 882.28
• IUPAC Name: 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5ccccn5)cc5c4C(C)(C)c4ccccc4N5c4ccccc4)ccc3)c3ccccc32)c(C)c1.[Pt]
• InChI: InChI=1S/C48H39N4O.Pt/c1-32-26-33(2)47(34(3)27-32)51-31-50(42-23-11-12-24-43(42)51)37-18-15-19-38(30-37)53-45-29-35(40-21-13-14-25-49-40)28-44-46(45)48(4,5)39-20-9-10-22-41(39)52(44)36-16-7-6-8-17-36;/h6-28,31H,1-5H3;/q-3
• InChIKey: PPNMHAYROWONDG-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.95
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum?

The IUPAC name of 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum (CID 176782789) is 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum.

What is the SMILES notation for 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum?

The canonical SMILES for 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5ccccn5)cc5c4C(C)(C)c4ccccc4N5c4ccccc4)ccc3)c3ccccc32)c(C)c1.[Pt].

What is the InChIKey of 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum?

The InChIKey is PPNMHAYROWONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N4O.Pt/c1-32-26-33(2)47(34(3)27-32)51-31-50(42-23-11-12-24-43(42)51)37-18-15-19-38(30-37)53-45-29-35(40-21-13-14-25-49-40)28-44-46(45)48(4,5)39-20-9-10-22-41(39)52(44)36-16-7-6-8-17-36;/h6-28,31H,1-5H3;/q-3;.

What are the key properties of 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum?

9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum has a molecular weight of 882.95 g/mol, XLogP of 12.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-10-phenyl-3-pyridin-2-yl-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-2H-acridin-2-ide;platinum is sourced from PubChem (CID 176782789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).