1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum

C58H43B2N4OPt-3 — CID 153276226

About 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum

1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum (PubChem CID 153276226) has the molecular formula C58H43B2N4OPt-3 and a molecular weight of 1028.71 g/mol. Its IUPAC name is 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum.

Molecular Properties

• Compound Name: 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum
• PubChem CID: 153276226
• Molecular Formula: C58H43B2N4OPt-3
• Molecular Weight: 1028.71 g/mol
• Exact Mass: 1028.33
• IUPAC Name: 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum
• SMILES: Cc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c(Oc3cccc4c3[n-]c3c(-c5ccccn5)cccc34)[c-]c(N3[CH-]N(c4ccccc4)c4ccccc43)cc21.[Pt]
• InChI: InChI=1S/C58H43B2N4O.Pt/c1-37-18-14-19-38(2)54(37)59-46-27-8-9-28-47(46)60(55-39(3)20-15-21-40(55)4)56-48(59)34-42(64-36-63(41-22-6-5-7-23-41)50-30-10-11-31-51(50)64)35-53(56)65-52-32-17-25-44-43-24-16-26-45(57(43)62-58(44)52)49-29-12-13-33-61-49;/h5-34,36H,1-4H3;/q-3
• InChIKey: WIKYOHSRIMVFKX-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 42.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.71
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum?

The IUPAC name of 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum (CID 153276226) is 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum.

What is the SMILES notation for 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum?

The canonical SMILES for 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum is Cc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c(Oc3cccc4c3[n-]c3c(-c5ccccn5)cccc34)[c-]c(N3[CH-]N(c4ccccc4)c4ccccc43)cc21.[Pt].

What is the InChIKey of 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum?

The InChIKey is WIKYOHSRIMVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43B2N4O.Pt/c1-37-18-14-19-38(2)54(37)59-46-27-8-9-28-47(46)60(55-39(3)20-15-21-40(55)4)56-48(59)34-42(64-36-63(41-22-6-5-7-23-41)50-30-10-11-31-51(50)64)35-53(56)65-52-32-17-25-44-43-24-16-26-45(57(43)62-58(44)52)49-29-12-13-33-61-49;/h5-34,36H,1-4H3;/q-3;.

What are the key properties of 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum?

1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum has a molecular weight of 1028.71 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum is sourced from PubChem (CID 153276226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).