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

C61H68B6N5O7Pt-3 — CID 177285765

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

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 177285765) has the molecular formula C61H68B6N5O7Pt-3 and a molecular weight of 1243.19 g/mol. Its IUPAC name is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177285765
• Molecular Formula: C61H68B6N5O7Pt-3
• Molecular Weight: 1243.19 g/mol
• Exact Mass: 1243.53
• IUPAC Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)B1OB(c2cc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)cc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5cc(-c7ccccc7)ccc5n6-c5cc(C(C)(C)C)ccn5)cnc4)c4ccccc43)c2)OB(C(C)(C)C)O1.[Pt]
• InChI: InChI=1S/C61H68B6N5O7.Pt/c1-57(2,3)43-29-30-69-56(32-43)72-52-28-25-42(41-21-17-16-18-22-41)31-51(52)50-27-26-48(37-55(50)72)73-49-36-47(38-68-39-49)71-40-70(53-23-19-20-24-54(53)71)46-34-44(62-74-64(58(4,5)6)78-65(75-62)59(7,8)9)33-45(35-46)63-76-66(60(10,11)12)79-67(77-63)61(13,14)15;/h16-35,38-40H,1-15H3;/q-3
• InChIKey: COZGKERQHOBKME-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 101.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.19
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (CID 177285765) is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)B1OB(c2cc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)cc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5cc(-c7ccccc7)ccc5n6-c5cc(C(C)(C)C)ccn5)cnc4)c4ccccc43)c2)OB(C(C)(C)C)O1.[Pt].

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

The InChIKey is COZGKERQHOBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H68B6N5O7.Pt/c1-57(2,3)43-29-30-69-56(32-43)72-52-28-25-42(41-21-17-16-18-22-41)31-51(52)50-27-26-48(37-55(50)72)73-49-36-47(38-68-39-49)71-40-70(53-23-19-20-24-54(53)71)46-34-44(62-74-64(58(4,5)6)78-65(75-62)59(7,8)9)33-45(35-46)63-76-66(60(10,11)12)79-67(77-63)61(13,14)15;/h16-35,38-40H,1-15H3;/q-3;.

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

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1243.19 g/mol, XLogP of 14.01, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).