2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C49H29F2N5Pt — CID 176642473

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642473) has the molecular formula C49H29F2N5Pt and a molecular weight of 920.88 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-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)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642473
• Molecular Formula: C49H29F2N5Pt
• Molecular Weight: 920.88 g/mol
• Exact Mass: 920.20
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: FC(F)(c1ccccc1)c1ccc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2c1.[Pt+2]
• InChI: InChI=1S/C49H29F2N5.Pt/c50-49(51,32-13-3-1-4-14-32)33-25-27-38-37-26-24-31(29-43(37)56(44(38)30-33)45-23-9-10-28-52-45)35-18-12-22-42-47(35)54-48(55(42)34-15-5-2-6-16-34)40-20-11-19-39-36-17-7-8-21-41(36)53-46(39)40;/h1-28,30H;/q-2;+2
• InChIKey: SBWOPQWXPSKBAW-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.88
LogP ≤ 5	12.05
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)-7-[difluoro(phenyl)methyl]-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)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176642473) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-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)-7-[difluoro(phenyl)methyl]-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)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is FC(F)(c1ccccc1)c1ccc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SBWOPQWXPSKBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29F2N5.Pt/c50-49(51,32-13-3-1-4-14-32)33-25-27-38-37-26-24-31(29-43(37)56(44(38)30-33)45-23-9-10-28-52-45)35-18-12-22-42-47(35)54-48(55(42)34-15-5-2-6-16-34)40-20-11-19-39-36-17-7-8-21-41(36)53-46(39)40;/h1-28,30H;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 920.88 g/mol, XLogP of 12.05, 6 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)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).