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

C58H43B2N4OPt-3 — CID 153276298

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

2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 153276298) has the molecular formula C58H43B2N4OPt-3 and a molecular weight of 1028.71 g/mol. Its IUPAC name is 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 153276298
• Molecular Formula: C58H43B2N4OPt-3
• Molecular Weight: 1028.71 g/mol
• Exact Mass: 1028.33
• IUPAC Name: 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c(N3[CH-]N(c4ccccc4)c4ccccc43)cc21.[Pt]
• InChI: InChI=1S/C58H43B2N4O.Pt/c1-38-18-16-19-39(2)56(38)59-47-25-9-10-26-48(47)60(57-40(3)20-17-21-41(57)4)58-49(59)34-43(63-37-62(42-22-6-5-7-23-42)51-28-12-13-29-52(51)63)35-54(58)65-44-31-32-46-45-24-8-11-27-50(45)64(53(46)36-44)55-30-14-15-33-61-55;/h5-34,37H,1-4H3;/q-3
• InChIKey: JSVCWJOSQSOOCL-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.71
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 153276298) is 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c(N3[CH-]N(c4ccccc4)c4ccccc43)cc21.[Pt].

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

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

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

2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1028.71 g/mol, XLogP of 9.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153276298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).