9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C76H70N4OPt-2 — CID 176850895

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

9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176850895) has the molecular formula C76H70N4OPt-2 and a molecular weight of 1255.53 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176850895
• Molecular Formula: C76H70N4OPt-2
• Molecular Weight: 1255.53 g/mol
• Exact Mass: 1254.55
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)C)c(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C76H70N4O.Pt/c1-50(2)40-55-44-72(77-48-67(55)53-32-35-57(36-33-53)74(3,4)5)80-68-31-19-18-28-65(68)66-38-37-62(47-70(66)80)81-61-27-20-26-60(46-61)78-49-79(71-43-54(34-39-69(71)78)51-22-14-12-15-23-51)73-63(52-24-16-13-17-25-52)29-21-30-64(73)56-41-58(75(6,7)8)45-59(42-56)76(9,10)11;/h12-39,41-45,48,50H,40H2,1-11H3;/q-2;/i13D,16D,17D,24D,25D
• InChIKey: COPVYORCTOLIKN-MTDJLGQZSA-N
• XLogP: 19.35
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.53
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176850895) is 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)C)c(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccc(-c4ccccc4)cc32)c([2H])c1[2H].[Pt].

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

The InChIKey is COPVYORCTOLIKN-MTDJLGQZSA-N. The full InChI is InChI=1S/C76H70N4O.Pt/c1-50(2)40-55-44-72(77-48-67(55)53-32-35-57(36-33-53)74(3,4)5)80-68-31-19-18-28-65(68)66-38-37-62(47-70(66)80)81-61-27-20-26-60(46-61)78-49-79(71-43-54(34-39-69(71)78)51-22-14-12-15-23-51)73-63(52-24-16-13-17-25-52)29-21-30-64(73)56-41-58(75(6,7)8)45-59(42-56)76(9,10)11;/h12-39,41-45,48,50H,40H2,1-11H3;/q-2;/i13D,16D,17D,24D,25D;.

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

9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1255.53 g/mol, XLogP of 19.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-(2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176850895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).