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

C70H67N4OPt-3 — CID 168780661

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168780661) has the molecular formula C70H67N4OPt-3 and a molecular weight of 1194.53 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168780661
• Molecular Formula: C70H67N4OPt-3
• Molecular Weight: 1194.53 g/mol
• Exact Mass: 1193.62
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)cc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(CC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C70H67N4O.Pt/c1-46(2)35-49-38-66(71-44-61(49)48-25-16-13-17-26-48)74-62-30-19-18-29-57(62)58-34-33-56(43-65(58)74)75-55-28-22-27-54(42-55)72-45-73(64-32-21-20-31-63(64)72)67-59(47-23-14-12-15-24-47)40-53(70(9,10)11)41-60(67)50-36-51(68(3,4)5)39-52(37-50)69(6,7)8;/h12-34,36-41,44-46H,35H2,1-11H3;/q-3;/i1D3,2D3,12D,13D,14D,15D,16D,17D,23D,24D,25D,26D,38D,44D,46D
• InChIKey: NCISIMORVBUMHY-CCJAYUFHSA-N
• XLogP: 19.07
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1194.53
LogP ≤ 5	19.07
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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168780661) is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)cc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)ccc4)ccc3c3ccccc32)c([2H])c(CC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1[2H].[Pt].

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

The InChIKey is NCISIMORVBUMHY-CCJAYUFHSA-N. The full InChI is InChI=1S/C70H67N4O.Pt/c1-46(2)35-49-38-66(71-44-61(49)48-25-16-13-17-26-48)74-62-30-19-18-29-57(62)58-34-33-56(43-65(58)74)75-55-28-22-27-54(42-55)72-45-73(64-32-21-20-31-63(64)72)67-59(47-23-14-12-15-24-47)40-53(70(9,10)11)41-60(67)50-36-51(68(3,4)5)39-52(37-50)69(6,7)8;/h12-34,36-41,44-46H,35H2,1-11H3;/q-3;/i1D3,2D3,12D,13D,14D,15D,16D,17D,23D,24D,25D,26D,38D,44D,46D;.

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1194.53 g/mol, XLogP of 19.07, 12 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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3,6-dideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).