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

C62H51N4OPt-3 — CID 169289406

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

2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 169289406) has the molecular formula C62H51N4OPt-3 and a molecular weight of 1066.21 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 169289406
• Molecular Formula: C62H51N4OPt-3
• Molecular Weight: 1066.21 g/mol
• Exact Mass: 1065.39
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt]
• InChI: InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-33-34-63-59(38-46)66-55-28-14-13-27-51(55)52-32-31-50(40-58(52)66)67-49-26-18-25-48(39-49)64-41-65(57-30-16-15-29-56(57)64)60-53(43-21-11-8-12-22-43)36-47(62(4,5)6)37-54(60)45-24-17-23-44(35-45)42-19-9-7-10-20-42;/h7-38,41H,1-6H3;/q-3;/i33D,34D,38D
• InChIKey: NVUCBXDCKAZIOV-MCYCGMDYSA-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 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 169289406) is 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(C(C)(C)C)c1[2H].[Pt].

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

The InChIKey is NVUCBXDCKAZIOV-MCYCGMDYSA-N. The full InChI is InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-33-34-63-59(38-46)66-55-28-14-13-27-51(55)52-32-31-50(40-58(52)66)67-49-26-18-25-48(39-49)64-41-65(57-30-16-15-29-56(57)64)60-53(43-21-11-8-12-22-43)36-47(62(4,5)6)37-54(60)45-24-17-23-44(35-45)42-19-9-7-10-20-42;/h7-38,41H,1-6H3;/q-3;/i33D,34D,38D;.

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

2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-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 2-[3-[3-[4-tert-butyl-2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).