2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C55H64B6N5O7Pt-3 — CID 177285777

About 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 177285777) has the molecular formula C55H64B6N5O7Pt-3 and a molecular weight of 1167.09 g/mol. Its IUPAC name is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 177285777
• Molecular Formula: C55H64B6N5O7Pt-3
• Molecular Weight: 1167.09 g/mol
• Exact Mass: 1167.50
• IUPAC Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)B1OB(c2cc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)cc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)cnc4)c4ccccc43)c2)OB(C(C)(C)C)O1.[Pt]
• InChI: InChI=1S/C55H64B6N5O7.Pt/c1-51(2,3)37-26-27-63-50(28-37)66-46-21-17-16-20-44(46)45-25-24-42(33-49(45)66)67-43-32-41(34-62-35-43)65-36-64(47-22-18-19-23-48(47)65)40-30-38(56-68-58(52(4,5)6)72-59(69-56)53(7,8)9)29-39(31-40)57-70-60(54(10,11)12)73-61(71-57)55(13,14)15;/h16-31,34-36H,1-15H3;/q-3
• InChIKey: LIPZNYDBMPFXGX-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 101.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.09
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 177285777) is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)B1OB(c2cc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)cc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)cnc4)c4ccccc43)c2)OB(C(C)(C)C)O1.[Pt].

What is the InChIKey of 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is LIPZNYDBMPFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64B6N5O7.Pt/c1-51(2,3)37-26-27-63-50(28-37)66-46-21-17-16-20-44(46)45-25-24-42(33-49(45)66)67-43-32-41(34-62-35-43)65-36-64(47-22-18-19-23-48(47)65)40-30-38(56-68-58(52(4,5)6)72-59(69-56)53(7,8)9)29-39(31-40)57-70-60(54(10,11)12)73-61(71-57)55(13,14)15;/h16-31,34-36H,1-15H3;/q-3;.

What are the key properties of 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1167.09 g/mol, XLogP of 12.34, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).