2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum

C152H110B2N12O2Pt2-4 — CID 163735237

About 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum

2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum (PubChem CID 163735237) has the molecular formula C152H110B2N12O2Pt2-4 and a molecular weight of 2568.54 g/mol. Its IUPAC name is 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum.

Molecular Properties

• Compound Name: 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum
• PubChem CID: 163735237
• Molecular Formula: C152H110B2N12O2Pt2-4
• Molecular Weight: 2568.54 g/mol
• Exact Mass: 2566.96
• IUPAC Name: 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7)c7ccccc7N6c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7-c7ccccc7)c7ccccc7N6c6ccccc6-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt]
• InChI: InChI=1S/C82H59BN6O.C70H51BN6O.2Pt/c1-82(2,3)61-50-51-84-80(52-61)87-72-49-46-62(83-88(73-40-18-16-36-66(73)57-26-8-4-9-27-57)77-44-22-23-45-78(77)89(83)74-41-19-17-37-67(74)58-28-10-5-11-29-58)53-71(72)70-48-47-65(55-79(70)87)90-64-35-24-34-63(54-64)85-56-86(76-43-21-20-42-75(76)85)81-68(59-30-12-6-13-31-59)38-25-39-69(81)60-32-14-7-15-33-60;1-70(2,3)51-42-43-72-68(44-51)75-62-41-38-52(71-76(53-26-12-6-13-27-53)65-36-18-19-37-66(65)77(71)54-28-14-7-15-29-54)45-61(62)60-40-39-57(47-67(60)75)78-56-31-20-30-55(46-56)73-48-74(64-35-17-16-34-63(64)73)69-58(49-22-8-4-9-23-49)32-21-33-59(69)50-24-10-5-11-25-50;;/h4-53H,1-3H3;4-45H,1-3H3;;/q2*-2;;/i6D,7D,12D,13D,14D,15D,30D,31D,32D,33D;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D
• InChIKey: CYRWIAQNZMCTSF-GXIHDYCASA-N
• XLogP: 35.15
• TPSA: 84.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.54
LogP ≤ 5	35.15
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The IUPAC name of 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum (CID 163735237) is 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum.

What is the SMILES notation for 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The canonical SMILES for 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7)c7ccccc7N6c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7-c7ccccc7)c7ccccc7N6c6ccccc6-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].

What is the InChIKey of 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The InChIKey is CYRWIAQNZMCTSF-GXIHDYCASA-N. The full InChI is InChI=1S/C82H59BN6O.C70H51BN6O.2Pt/c1-82(2,3)61-50-51-84-80(52-61)87-72-49-46-62(83-88(73-40-18-16-36-66(73)57-26-8-4-9-27-57)77-44-22-23-45-78(77)89(83)74-41-19-17-37-67(74)58-28-10-5-11-29-58)53-71(72)70-48-47-65(55-79(70)87)90-64-35-24-34-63(54-64)85-56-86(76-43-21-20-42-75(76)85)81-68(59-30-12-6-13-31-59)38-25-39-69(81)60-32-14-7-15-33-60;1-70(2,3)51-42-43-72-68(44-51)75-62-41-38-52(71-76(53-26-12-6-13-27-53)65-36-18-19-37-66(65)77(71)54-28-14-7-15-29-54)45-61(62)60-40-39-57(47-67(60)75)78-56-31-20-30-55(46-56)73-48-74(64-35-17-16-34-63(64)73)69-58(49-22-8-4-9-23-49)32-21-33-59(69)50-24-10-5-11-25-50;;/h4-53H,1-3H3;4-45H,1-3H3;;/q2*-2;;/i6D,7D,12D,13D,14D,15D,30D,31D,32D,33D;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D;;.

What are the key properties of 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum has a molecular weight of 2568.54 g/mol, XLogP of 35.15, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum is sourced from PubChem (CID 163735237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).