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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum

C64H72B3N4O3PtS-3 — CID 177285600

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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum (PubChem CID 177285600) has the molecular formula C64H72B3N4O3PtS-3 and a molecular weight of 1204.89 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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 177285600
• Molecular Formula: C64H72B3N4O3PtS-3
• Molecular Weight: 1204.89 g/mol
• Exact Mass: 1204.53
• 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]methylsulfanylmethyl]-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(CSCc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)OB(C(C)(C)C)O1.[Pt]
• InChI: InChI=1S/C64H72B3N4O3S.Pt/c1-60(2,3)46-32-33-68-58(39-46)71-54-27-17-16-24-51(54)52-31-30-44(35-57(52)71)41-75-40-43-22-20-23-49(34-43)69-42-70(56-29-19-18-28-55(56)69)59-50(45-36-47(61(4,5)6)38-48(37-45)62(7,8)9)25-21-26-53(59)65-72-66(63(10,11)12)74-67(73-65)64(13,14)15;/h16-33,36-39,42H,40-41H2,1-15H3;/q-3
• InChIKey: JSLIGOWUDNBWIO-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 51.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.89
LogP ≤ 5	16.51
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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum (CID 177285600) 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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-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(CSCc4[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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum?

The InChIKey is JSLIGOWUDNBWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72B3N4O3S.Pt/c1-60(2,3)46-32-33-68-58(39-46)71-54-27-17-16-24-51(54)52-31-30-44(35-57(52)71)41-75-40-43-22-20-23-49(34-43)69-42-70(56-29-19-18-28-55(56)69)59-50(45-36-47(61(4,5)6)38-48(37-45)62(7,8)9)25-21-26-53(59)65-72-66(63(10,11)12)74-67(73-65)64(13,14)15;/h16-33,36-39,42H,40-41H2,1-15H3;/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]methylsulfanylmethyl]-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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1204.89 g/mol, XLogP of 16.51, 9 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]methylsulfanylmethyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).