4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum

C56H45BN5OPt-3 — CID 176641019

About 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum

4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum (PubChem CID 176641019) has the molecular formula C56H45BN5OPt-3 and a molecular weight of 1009.90 g/mol. Its IUPAC name is 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum.

Molecular Properties

• Compound Name: 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176641019
• Molecular Formula: C56H45BN5OPt-3
• Molecular Weight: 1009.90 g/mol
• Exact Mass: 1009.34
• IUPAC Name: 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum
• SMILES: Cc1cc(C)cc(C2=CN3B(C=C2)C=CC(c2ccccc2)=C3N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C56H45BN5O.Pt/c1-38-30-39(2)32-42(31-38)41-24-27-57-28-25-47(40-14-7-6-8-15-40)55(61(57)36-41)60-37-59(51-20-11-12-21-52(51)60)44-16-13-17-45(34-44)63-46-22-23-49-48-18-9-10-19-50(48)62(53(49)35-46)54-33-43(26-29-58-54)56(3,4)5;/h6-33,36-37H,1-5H3;/q-3
• InChIKey: IMAFIWZCJPZAHN-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 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum?

The IUPAC name of 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum (CID 176641019) is 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum.

What is the SMILES notation for 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum?

The canonical SMILES for 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum is Cc1cc(C)cc(C2=CN3B(C=C2)C=CC(c2ccccc2)=C3N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt].

What is the InChIKey of 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum?

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

What are the key properties of 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum?

4-[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]-7-(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 4-[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]-7-(3,5-dimethylphenyl)-3-phenylazaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176641019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).