1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum

C43H31N4OPtS-3 — CID 176781996

About 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum

1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum (PubChem CID 176781996) has the molecular formula C43H31N4OPtS-3 and a molecular weight of 846.89 g/mol. Its IUPAC name is 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum
• PubChem CID: 176781996
• Molecular Formula: C43H31N4OPtS-3
• Molecular Weight: 846.89 g/mol
• Exact Mass: 846.19
• IUPAC Name: 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5nccn5-c5cccc6sc7ccccc7c56)ccc4)ccc3)c3ccccc32)c(C)c1.[Pt]
• InChI: InChI=1S/C43H31N4OS.Pt/c1-28-23-29(2)42(30(3)24-28)47-27-46(36-16-5-6-17-37(36)47)32-12-9-14-34(26-32)48-33-13-8-11-31(25-33)43-44-21-22-45(43)38-18-10-20-40-41(38)35-15-4-7-19-39(35)49-40;/h4-24,27H,1-3H3;/q-3
• InChIKey: AMPCUQXVNCINMK-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.89
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum (CID 176781996) is 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c(-c5nccn5-c5cccc6sc7ccccc7c56)ccc4)ccc3)c3ccccc32)c(C)c1.[Pt].

What is the InChIKey of 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum?

The InChIKey is AMPCUQXVNCINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N4OS.Pt/c1-28-23-29(2)42(30(3)24-28)47-27-46(36-16-5-6-17-37(36)47)32-12-9-14-34(26-32)48-33-13-8-11-31(25-33)43-44-21-22-45(43)38-18-10-20-40-41(38)35-15-4-7-19-39(35)49-40;/h4-24,27H,1-3H3;/q-3;.

What are the key properties of 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum?

1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum has a molecular weight of 846.89 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(1-dibenzothiophen-1-ylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 176781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).