5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum

C68H46BN5OPt-2 — CID 166053108

About 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum

5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum (PubChem CID 166053108) has the molecular formula C68H46BN5OPt-2 and a molecular weight of 1165.10 g/mol. Its IUPAC name is 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum.

Molecular Properties

• Compound Name: 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum
• PubChem CID: 166053108
• Molecular Formula: C68H46BN5OPt-2
• Molecular Weight: 1165.10 g/mol
• Exact Mass: 1164.41
• IUPAC Name: 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;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)c4ccccc4n5-c4cc(N5c6ccccc6B(c6c(C)cccc6C)c6ccccc65)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C68H46BN5O.Pt/c1-46-20-17-21-47(2)67(46)69-58-31-10-13-34-61(58)73(62-35-14-11-32-59(62)69)51-40-41-70-66(43-51)74-60-33-12-9-28-56(60)57-39-38-53(44-65(57)74)75-52-27-18-26-50(42-52)71-45-72(64-37-16-15-36-63(64)71)68-54(48-22-5-3-6-23-48)29-19-30-55(68)49-24-7-4-8-25-49;/h3-41,43H,1-2H3;/q-2;/i3D,4D,5D,6D,7D,8D,22D,23D,24D,25D
• InChIKey: WERXICDKNPWYKT-UMBRSBJUSA-N
• XLogP: 13.84
• TPSA: 39.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.10
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum?

The IUPAC name of 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum (CID 166053108) is 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum.

What is the SMILES notation for 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum?

The canonical SMILES for 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;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)c4ccccc4n5-c4cc(N5c6ccccc6B(c6c(C)cccc6C)c6ccccc65)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum?

The InChIKey is WERXICDKNPWYKT-UMBRSBJUSA-N. The full InChI is InChI=1S/C68H46BN5O.Pt/c1-46-20-17-21-47(2)67(46)69-58-31-10-13-34-61(58)73(62-35-14-11-32-59(62)69)51-40-41-70-66(43-51)74-60-33-12-9-28-56(60)57-39-38-53(44-65(57)74)75-52-27-18-26-50(42-52)71-45-72(64-37-16-15-36-63(64)71)68-54(48-22-5-3-6-23-48)29-19-30-55(68)49-24-7-4-8-25-49;/h3-41,43H,1-2H3;/q-2;/i3D,4D,5D,6D,7D,8D,22D,23D,24D,25D;.

What are the key properties of 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum?

5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum has a molecular weight of 1165.10 g/mol, XLogP of 13.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[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-1H-carbazol-1-id-9-yl]-4-pyridinyl]-10-(2,6-dimethylphenyl)benzo[b][1,4]benzazaborinine;platinum is sourced from PubChem (CID 166053108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).