4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum

C66H65BN5OPt-3 — CID 176640802

About 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum

4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum (PubChem CID 176640802) has the molecular formula C66H65BN5OPt-3 and a molecular weight of 1150.17 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum.

Molecular Properties

• Compound Name: 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176640802
• Molecular Formula: C66H65BN5OPt-3
• Molecular Weight: 1150.17 g/mol
• Exact Mass: 1149.49
• IUPAC Name: 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum
• SMILES: CC(C)(C)c1cc(C2=CB3C=CC=CN3C(c3ccccc3C(C)(C)C)=C2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C66H65BN5O.Pt/c1-63(2,3)45-32-34-68-60(39-45)72-56-27-16-14-24-51(56)52-31-30-50(41-59(52)72)73-49-23-21-22-48(40-49)69-43-70(58-29-18-17-28-57(58)69)61-54(44-36-46(64(4,5)6)38-47(37-44)65(7,8)9)42-67-33-19-20-35-71(67)62(61)53-25-13-15-26-55(53)66(10,11)12;/h13-39,42-43H,1-12H3;/q-3
• InChIKey: BNMWGVXYZSXUDL-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.17
LogP ≤ 5	16.76
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-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum?

The IUPAC name of 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum (CID 176640802) is 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum.

What is the SMILES notation for 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum?

The canonical SMILES for 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum is CC(C)(C)c1cc(C2=CB3C=CC=CN3C(c3ccccc3C(C)(C)C)=C2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum?

The InChIKey is BNMWGVXYZSXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H65BN5O.Pt/c1-63(2,3)45-32-34-68-60(39-45)72-56-27-16-14-24-51(56)52-31-30-50(41-59(52)72)73-49-23-21-22-48(40-49)69-43-70(58-29-18-17-28-57(58)69)61-54(44-36-46(64(4,5)6)38-47(37-44)65(7,8)9)42-67-33-19-20-35-71(67)62(61)53-25-13-15-26-55(53)66(10,11)12;/h13-39,42-43H,1-12H3;/q-3;.

What are the key properties of 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum?

4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum has a molecular weight of 1150.17 g/mol, XLogP of 16.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-tert-butylphenyl)-3-[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]-2-(3,5-ditert-butylphenyl)azaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176640802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).