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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum

C54H41BN5OPt-3 — CID 176641007

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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum (PubChem CID 176641007) has the molecular formula C54H41BN5OPt-3 and a molecular weight of 991.91 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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176641007
• Molecular Formula: C54H41BN5OPt-3
• Molecular Weight: 991.91 g/mol
• Exact Mass: 991.37
• 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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum
• SMILES: [2H]c1c([2H])c([2H])c(C2=CN3C=CC=CB3C(c3c([2H])c([2H])c([2H])c([2H])c3[2H])=C2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C54H41BN5O.Pt/c1-54(2,3)40-29-31-56-51(33-40)60-47-24-11-10-23-44(47)45-28-27-43(35-50(45)60)61-42-22-16-21-41(34-42)58-37-59(49-26-13-12-25-48(49)58)53-46(38-17-6-4-7-18-38)36-57-32-15-14-30-55(57)52(53)39-19-8-5-9-20-39;/h4-33,36-37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,17D,18D,19D,20D
• InChIKey: KNVNVMWEUMMEFG-DZSNMJSESA-N
• XLogP: 12.87
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.91
LogP ≤ 5	12.87
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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum (CID 176641007) 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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum is [2H]c1c([2H])c([2H])c(C2=CN3C=CC=CB3C(c3c([2H])c([2H])c([2H])c([2H])c3[2H])=C2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum?

The InChIKey is KNVNVMWEUMMEFG-DZSNMJSESA-N. The full InChI is InChI=1S/C54H41BN5O.Pt/c1-54(2,3)40-29-31-56-51(33-40)60-47-24-11-10-23-44(47)45-28-27-43(35-50(45)60)61-42-22-16-21-41(34-42)58-37-59(49-26-13-12-25-48(49)58)53-46(38-17-6-4-7-18-38)36-57-32-15-14-30-55(57)52(53)39-19-8-5-9-20-39;/h4-33,36-37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,17D,18D,19D,20D;.

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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum has a molecular weight of 991.91 g/mol, XLogP of 12.87, 7 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]-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)azaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176641007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).