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

C66H59N4OPt-3 — CID 177082909

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 177082909) has the molecular formula C66H59N4OPt-3 and a molecular weight of 1134.39 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 177082909
• Molecular Formula: C66H59N4OPt-3
• Molecular Weight: 1134.39 g/mol
• Exact Mass: 1133.53
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c4[2H])c3N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c([2H])c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C66H59N4O.Pt/c1-64(2,3)48-35-36-67-62(40-48)70-58-26-14-13-23-56(58)57-34-33-53(42-61(57)70)71-52-22-17-21-51(41-52)68-43-69(60-28-16-15-27-59(60)68)63-54(46-31-29-45(30-32-46)44-19-11-10-12-20-44)24-18-25-55(63)47-37-49(65(4,5)6)39-50(38-47)66(7,8)9;/h10-40,43H,1-9H3;/q-3;/i10D,11D,12D,18D,19D,20D,24D,25D,29D,30D,31D,32D,37D,38D,39D
• InChIKey: YKFDRRGRIDIDAJ-JLVGGMJNSA-N
• XLogP: 17.87
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1134.39
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 177082909) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c4[2H])c3N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c([2H])c2[2H])c([2H])c1[2H].[Pt].

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

The InChIKey is YKFDRRGRIDIDAJ-JLVGGMJNSA-N. The full InChI is InChI=1S/C66H59N4O.Pt/c1-64(2,3)48-35-36-67-62(40-48)70-58-26-14-13-23-56(58)57-34-33-53(42-61(57)70)71-52-22-17-21-51(41-52)68-43-69(60-28-16-15-27-59(60)68)63-54(46-31-29-45(30-32-46)44-19-11-10-12-20-44)24-18-25-55(63)47-37-49(65(4,5)6)39-50(38-47)66(7,8)9;/h10-40,43H,1-9H3;/q-3;/i10D,11D,12D,18D,19D,20D,24D,25D,29D,30D,31D,32D,37D,38D,39D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1134.39 g/mol, XLogP of 17.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177082909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).