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

C79H69N4OPt-3 — CID 168780299

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

2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168780299) has the molecular formula C79H69N4OPt-3 and a molecular weight of 1288.54 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168780299
• Molecular Formula: C79H69N4OPt-3
• Molecular Weight: 1288.54 g/mol
• Exact Mass: 1287.53
• IUPAC Name: 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(C(C)(C)C)cc7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C79H69N4O.Pt/c1-52-43-75(80-50-70(52)55-23-15-12-16-24-55)83-71-42-35-58(54-31-36-60(37-32-54)77(2,3)4)45-69(71)68-41-40-64(49-74(68)83)84-65-47-62(79(8,9)10)46-63(48-65)81-51-82(73-30-18-17-29-72(73)81)76-66(56-33-38-61(39-34-56)78(5,6)7)27-20-28-67(76)59-26-19-25-57(44-59)53-21-13-11-14-22-53;/h11-47,50-51H,1-10H3;/q-3;/i1D3
• InChIKey: CIJFTDCHPSOOHH-NIIDSAIPSA-N
• XLogP: 21.51
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.54
LogP ≤ 5	21.51
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-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168780299) is 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(C(C)(C)C)cc7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1ccccc1.[Pt].

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

The InChIKey is CIJFTDCHPSOOHH-NIIDSAIPSA-N. The full InChI is InChI=1S/C79H69N4O.Pt/c1-52-43-75(80-50-70(52)55-23-15-12-16-24-55)83-71-42-35-58(54-31-36-60(37-32-54)77(2,3)4)45-69(71)68-41-40-64(49-74(68)83)84-65-47-62(79(8,9)10)46-63(48-65)81-51-82(73-30-18-17-29-72(73)81)76-66(56-33-38-61(39-34-56)78(5,6)7)27-20-28-67(76)59-26-19-25-57(44-59)53-21-13-11-14-22-53;/h11-47,50-51H,1-10H3;/q-3;/i1D3;.

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

2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1288.54 g/mol, XLogP of 21.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).