2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C50H33N5Pt — CID 176643282

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643282) has the molecular formula C50H33N5Pt and a molecular weight of 898.93 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643282
• Molecular Formula: C50H33N5Pt
• Molecular Weight: 898.93 g/mol
• Exact Mass: 898.24
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2]
• InChI: InChI=1S/C50H33N5.Pt/c1-31-13-10-14-32(2)47(31)34-25-27-43-41(29-34)38-26-24-33(30-45(38)55(43)46-23-8-9-28-51-46)36-18-12-22-44-49(36)53-50(54(44)35-15-4-3-5-16-35)40-20-11-19-39-37-17-6-7-21-42(37)52-48(39)40;/h3-29H,1-2H3;/q-2;+2
• InChIKey: ZSQNBRVDHFDSSE-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.93
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	0
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-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176643282) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1cccc(C)c1-c1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZSQNBRVDHFDSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5.Pt/c1-31-13-10-14-32(2)47(31)34-25-27-43-41(29-34)38-26-24-33(30-45(38)55(43)46-23-8-9-28-51-46)36-18-12-22-44-49(36)53-50(54(44)35-15-4-3-5-16-35)40-20-11-19-39-37-17-6-7-21-42(37)52-48(39)40;/h3-29H,1-2H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 898.93 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).