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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum

C56H45BN5OPt-3 — CID 176641005

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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum (PubChem CID 176641005) has the molecular formula C56H45BN5OPt-3 and a molecular weight of 1009.90 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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176641005
• Molecular Formula: C56H45BN5OPt-3
• Molecular Weight: 1009.90 g/mol
• Exact Mass: 1009.34
• 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]-1-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum
• SMILES: Cc1cc(C)cc(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)c1.[Pt]
• InChI: InChI=1S/C56H45BN5O.Pt/c1-38-30-39(2)32-41(31-38)54-55(48(40-16-7-6-8-17-40)36-59-29-14-13-27-57(54)59)61-37-60(50-22-11-12-23-51(50)61)43-18-15-19-44(34-43)63-45-24-25-47-46-20-9-10-21-49(46)62(52(47)35-45)53-33-42(26-28-58-53)56(3,4)5;/h6-33,36-37H,1-5H3;/q-3
• InChIKey: KWOVHUPXBGIAGL-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.90
LogP ≤ 5	13.48
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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum (CID 176641005) 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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum is Cc1cc(C)cc(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)c1.[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum?

The InChIKey is KWOVHUPXBGIAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45BN5O.Pt/c1-38-30-39(2)32-41(31-38)54-55(48(40-16-7-6-8-17-40)36-59-29-14-13-27-57(54)59)61-37-60(50-22-11-12-23-51(50)61)43-18-15-19-44(34-43)63-45-24-25-47-46-20-9-10-21-49(46)62(52(47)35-45)53-33-42(26-28-58-53)56(3,4)5;/h6-33,36-37H,1-5H3;/q-3;.

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-(3,5-dimethylphenyl)-3-phenylazaborinino[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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum has a molecular weight of 1009.90 g/mol, XLogP of 13.48, 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-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176641005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).