9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum

C62H68B3N4O3PtS-3 — CID 177285698

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum (PubChem CID 177285698) has the molecular formula C62H68B3N4O3PtS-3 and a molecular weight of 1176.83 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177285698
• Molecular Formula: C62H68B3N4O3PtS-3
• Molecular Weight: 1176.83 g/mol
• Exact Mass: 1176.50
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)B1OB(c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(Sc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)OB(C(C)(C)C)O1.[Pt]
• InChI: InChI=1S/C62H68B3N4O3S.Pt/c1-58(2,3)42-32-33-66-56(37-42)69-52-27-17-16-24-49(52)50-31-30-47(39-55(50)69)73-46-23-20-22-45(38-46)67-40-68(54-29-19-18-28-53(54)67)57-48(41-34-43(59(4,5)6)36-44(35-41)60(7,8)9)25-21-26-51(57)63-70-64(61(10,11)12)72-65(71-63)62(13,14)15;/h16-37,40H,1-15H3;/q-3
• InChIKey: UTMAVIJFOISGLC-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 51.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.83
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum (CID 177285698) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum is CC(C)(C)B1OB(c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(Sc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)OB(C(C)(C)C)O1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

The InChIKey is UTMAVIJFOISGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68B3N4O3S.Pt/c1-58(2,3)42-32-33-66-56(37-42)69-52-27-17-16-24-49(52)50-31-30-47(39-55(50)69)73-46-23-20-22-45(38-46)67-40-68(54-29-19-18-28-53(54)67)57-48(41-34-43(59(4,5)6)36-44(35-41)60(7,8)9)25-21-26-51(57)63-70-64(61(10,11)12)72-65(71-63)62(13,14)15;/h16-37,40H,1-15H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum has a molecular weight of 1176.83 g/mol, XLogP of 16.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]sulfanyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).