2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum

C55H43BN5OPt-3 — CID 176640936

About 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum

2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum (PubChem CID 176640936) has the molecular formula C55H43BN5OPt-3 and a molecular weight of 998.89 g/mol. Its IUPAC name is 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176640936
• Molecular Formula: C55H43BN5OPt-3
• Molecular Weight: 998.89 g/mol
• Exact Mass: 998.34
• IUPAC Name: 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(C2=C(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)C(c3ccccc3)=CN3C=CC=CB23)cc1.[Pt]
• InChI: InChI=1S/C55H43BN5O.Pt/c1-38-23-25-40(26-24-38)53-54(47(39-15-6-5-7-16-39)36-58-32-13-12-30-56(53)58)60-37-59(49-21-10-11-22-50(49)60)42-17-14-18-43(34-42)62-44-27-28-46-45-19-8-9-20-48(45)61(51(46)35-44)52-33-41(29-31-57-52)55(2,3)4;/h5-33,36-37H,1-4H3;/q-3;/i1D3
• InChIKey: LGLLTGVXUBSRKT-NIIDSAIPSA-N
• XLogP: 13.17
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.89
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum?

The IUPAC name of 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum (CID 176640936) is 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum.

What is the SMILES notation for 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum?

The canonical SMILES for 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum is [2H]C([2H])([2H])c1ccc(C2=C(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)C(c3ccccc3)=CN3C=CC=CB23)cc1.[Pt].

What is the InChIKey of 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum?

The InChIKey is LGLLTGVXUBSRKT-NIIDSAIPSA-N. The full InChI is InChI=1S/C55H43BN5O.Pt/c1-38-23-25-40(26-24-38)53-54(47(39-15-6-5-7-16-39)36-58-32-13-12-30-56(53)58)60-37-59(49-21-10-11-22-50(49)60)42-17-14-18-43(34-42)62-44-27-28-46-45-19-8-9-20-48(45)61(51(46)35-44)52-33-41(29-31-57-52)55(2,3)4;/h5-33,36-37H,1-4H3;/q-3;/i1D3;.

What are the key properties of 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum?

2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum has a molecular weight of 998.89 g/mol, XLogP of 13.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3-phenyl-1-[4-(trideuteriomethyl)phenyl]azaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176640936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).