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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum

C52H53BN5OPt-3 — CID 176640904

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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum (PubChem CID 176640904) has the molecular formula C52H53BN5OPt-3 and a molecular weight of 973.94 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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176640904
• Molecular Formula: C52H53BN5OPt-3
• Molecular Weight: 973.94 g/mol
• Exact Mass: 973.43
• 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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum
• SMILES: [2H]C([2H])(C1=CN2B(C=C1)C=CC(C([2H])([2H])C(C)(C)C)=C2N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21)C(C)(C)C.[Pt]
• InChI: InChI=1S/C52H53BN5O.Pt/c1-50(2,3)32-36-23-26-53-27-24-37(33-51(4,5)6)49(57(53)34-36)56-35-55(45-19-12-13-20-46(45)56)39-15-14-16-40(30-39)59-41-21-22-43-42-17-10-11-18-44(42)58(47(43)31-41)48-29-38(25-28-54-48)52(7,8)9;/h10-29,34-35H,32-33H2,1-9H3;/q-3;/i32D2,33D2
• InChIKey: GFSBKVWCABSVMA-XFJKKKNPSA-N
• XLogP: 13.42
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.94
LogP ≤ 5	13.42
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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum (CID 176640904) 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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum is [2H]C([2H])(C1=CN2B(C=C1)C=CC(C([2H])([2H])C(C)(C)C)=C2N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21)C(C)(C)C.[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum?

The InChIKey is GFSBKVWCABSVMA-XFJKKKNPSA-N. The full InChI is InChI=1S/C52H53BN5O.Pt/c1-50(2,3)32-36-23-26-53-27-24-37(33-51(4,5)6)49(57(53)34-36)56-35-55(45-19-12-13-20-46(45)56)39-15-14-16-40(30-39)59-41-21-22-43-42-17-10-11-18-44(42)58(47(43)31-41)48-29-38(25-28-54-48)52(7,8)9;/h10-29,34-35H,32-33H2,1-9H3;/q-3;/i32D2,33D2;.

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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum has a molecular weight of 973.94 g/mol, XLogP of 13.42, 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]-3,7-bis(1,1-dideuterio-2,2-dimethylpropyl)azaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176640904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).