9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)

C46H28N6Pt — CID 162471988

About 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)

9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162471988) has the molecular formula C46H28N6Pt and a molecular weight of 859.85 g/mol. Its IUPAC name is 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162471988
• Molecular Formula: C46H28N6Pt
• Molecular Weight: 859.85 g/mol
• Exact Mass: 859.20
• IUPAC Name: 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1ccccc1-c1nc2c(-n3c4ccccc4n4cc(-n5c6[c-]cccc6c6ccccc65)nc34)cccc2n1-c1ccccc1-c1ccccc1
• InChI: InChI=1S/C46H28N6.Pt/c1-3-16-31(17-4-1)33-20-7-10-23-36(33)51-41-28-15-29-42(44(41)48-45(51)32-18-5-2-6-19-32)52-40-27-14-13-26-39(40)49-30-43(47-46(49)52)50-37-24-11-8-21-34(37)35-22-9-12-25-38(35)50;/h1-18,20-24,26-30H;/q-2;+2
• InChIKey: ZUWQDLWZRDDOFS-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 44.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.85
LogP ≤ 5	10.65
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 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+) (CID 162471988) is 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1ccccc1-c1nc2c(-n3c4ccccc4n4cc(-n5c6[c-]cccc6c6ccccc65)nc34)cccc2n1-c1ccccc1-c1ccccc1.

What is the InChIKey of 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZUWQDLWZRDDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6.Pt/c1-3-16-31(17-4-1)33-20-7-10-23-36(33)51-41-28-15-29-42(44(41)48-45(51)32-18-5-2-6-19-32)52-40-27-14-13-26-39(40)49-30-43(47-46(49)52)50-37-24-11-8-21-34(37)35-22-9-12-25-38(35)50;/h1-18,20-24,26-30H;/q-2;+2.

What are the key properties of 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+)?

9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 859.85 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]imidazo[1,2-a]benzimidazol-2-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162471988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).