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

C73H65N4OPt-3 — CID 168780480

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 168780480) has the molecular formula C73H65N4OPt-3 and a molecular weight of 1214.46 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 168780480
• Molecular Formula: C73H65N4OPt-3
• Molecular Weight: 1214.46 g/mol
• Exact Mass: 1213.51
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-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-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c([2H])c(C([2H])([2H])[2H])c1-c1ccccc1.[Pt]
• InChI: InChI=1S/C73H65N4O.Pt/c1-48-37-69(74-46-64(48)51-27-18-13-19-28-51)77-65-36-33-52(49-23-14-11-15-24-49)40-63(65)60-35-34-59(45-68(60)77)78-58-30-22-29-57(44-58)75-47-76(67-32-21-20-31-66(67)75)70-61(50-25-16-12-17-26-50)42-56(73(8,9)10)43-62(70)53-38-54(71(2,3)4)41-55(39-53)72(5,6)7;/h11-43,46-47H,1-10H3;/q-3;/i1D3,37D,46D
• InChIKey: DWKSMTFCBBYTDW-MWGRHRIOSA-N
• XLogP: 19.85
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.46
LogP ≤ 5	19.85
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-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (CID 168780480) is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-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-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c([2H])c(C([2H])([2H])[2H])c1-c1ccccc1.[Pt].

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

The InChIKey is DWKSMTFCBBYTDW-MWGRHRIOSA-N. The full InChI is InChI=1S/C73H65N4O.Pt/c1-48-37-69(74-46-64(48)51-27-18-13-19-28-51)77-65-36-33-52(49-23-14-11-15-24-49)40-63(65)60-35-34-59(45-68(60)77)78-58-30-22-29-57(44-58)75-47-76(67-32-21-20-31-66(67)75)70-61(50-25-16-12-17-26-50)42-56(73(8,9)10)43-62(70)53-38-54(71(2,3)4)41-55(39-53)72(5,6)7;/h11-43,46-47H,1-10H3;/q-3;/i1D3,37D,46D;.

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1214.46 g/mol, XLogP of 19.85, 10 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-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).