3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)

C51H33N5OPt — CID 176642861

About 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)

3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+) (PubChem CID 176642861) has the molecular formula C51H33N5OPt and a molecular weight of 926.94 g/mol. Its IUPAC name is 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)
• PubChem CID: 176642861
• Molecular Formula: C51H33N5OPt
• Molecular Weight: 926.94 g/mol
• Exact Mass: 926.23
• IUPAC Name: 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)
• SMILES: CC1(C)c2ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3cccc4c3oc3ccccc34)[c-]c2N(c2ccccn2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C51H33N5O.Pt/c1-51(2)38-20-5-7-22-41(38)55(46-26-9-10-29-52-46)44-30-31(27-28-39(44)51)32-16-12-23-42-48(32)54-50(37-19-11-17-35-33-14-3-6-21-40(33)53-47(35)37)56(42)43-24-13-18-36-34-15-4-8-25-45(34)57-49(36)43;/h3-29H,1-2H3;/q-2;+2
• InChIKey: SOSIWONSGSPMJT-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 61.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.94
LogP ≤ 5	12.82
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 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)?

The IUPAC name of 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+) (CID 176642861) is 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+).

What is the SMILES notation for 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)?

The canonical SMILES for 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+) is CC1(C)c2ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3cccc4c3oc3ccccc34)[c-]c2N(c2ccccn2)c2ccccc21.[Pt+2].

What is the InChIKey of 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)?

The InChIKey is SOSIWONSGSPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O.Pt/c1-51(2)38-20-5-7-22-41(38)55(46-26-9-10-29-52-46)44-30-31(27-28-39(44)51)32-16-12-23-42-48(32)54-50(37-19-11-17-35-33-14-3-6-21-40(33)53-47(35)37)56(42)43-24-13-18-36-34-15-4-8-25-45(34)57-49(36)43;/h3-29H,1-2H3;/q-2;+2.

What are the key properties of 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)?

3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+) has a molecular weight of 926.94 g/mol, XLogP of 12.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+) is sourced from PubChem (CID 176642861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).