6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C62H51N4OPt-3 — CID 169289466

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

6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169289466) has the molecular formula C62H51N4OPt-3 and a molecular weight of 1066.21 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169289466
• Molecular Formula: C62H51N4OPt-3
• Molecular Weight: 1066.21 g/mol
• Exact Mass: 1065.39
• IUPAC Name: 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt]
• InChI: InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-30-27-42(28-31-46)45-29-34-55-54(37-45)53-33-32-50(40-58(53)66(55)59-38-47(35-36-63-59)62(4,5)6)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;/h7-38,41H,1-6H3;/q-3;/i35D,36D,38D
• InChIKey: TWRUZGNTRPQIJO-YWIHLGMMSA-N
• XLogP: 16.57
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.21
LogP ≤ 5	16.57
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 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169289466) is 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt].

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

The InChIKey is TWRUZGNTRPQIJO-YWIHLGMMSA-N. The full InChI is InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-30-27-42(28-31-46)45-29-34-55-54(37-45)53-33-32-50(40-58(53)66(55)59-38-47(35-36-63-59)62(4,5)6)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;/h7-38,41H,1-6H3;/q-3;/i35D,36D,38D;.

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

6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1066.21 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).