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

C69H73N4OPt-3 — CID 168751475

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

2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168751475) has the molecular formula C69H73N4OPt-3 and a molecular weight of 1172.47 g/mol. Its IUPAC name is 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168751475
• Molecular Formula: C69H73N4OPt-3
• Molecular Weight: 1172.47 g/mol
• Exact Mass: 1171.56
• IUPAC Name: 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1CCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(-c3ccccc3)ccc21.[Pt]
• InChI: InChI=1S/C69H73N4O.Pt/c1-46-35-52(67(5,6)7)41-60(50-37-53(68(8,9)10)40-54(38-50)69(11,12)13)57(46)26-20-34-71-45-72(64-39-49(28-31-62(64)71)48-22-15-14-16-23-48)55-24-19-21-47(36-55)44-74-56-29-30-59-58-25-17-18-27-61(58)73(63(59)43-56)65-42-51(32-33-70-65)66(2,3)4;/h14-19,21-25,27-33,35,37-42,45H,20,26,34,44H2,1-13H3;/q-3;/i1D3
• InChIKey: DQCAPTIHWXUYCR-NIIDSAIPSA-N
• XLogP: 17.90
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.47
LogP ≤ 5	17.90
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-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168751475) is 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1CCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(-c3ccccc3)ccc21.[Pt].

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

The InChIKey is DQCAPTIHWXUYCR-NIIDSAIPSA-N. The full InChI is InChI=1S/C69H73N4O.Pt/c1-46-35-52(67(5,6)7)41-60(50-37-53(68(8,9)10)40-54(38-50)69(11,12)13)57(46)26-20-34-71-45-72(64-39-49(28-31-62(64)71)48-22-15-14-16-23-48)55-24-19-21-47(36-55)44-74-56-29-30-59-58-25-17-18-27-61(58)73(63(59)43-56)65-42-51(32-33-70-65)66(2,3)4;/h14-19,21-25,27-33,35,37-42,45H,20,26,34,44H2,1-13H3;/q-3;/i1D3;.

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

2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1172.47 g/mol, XLogP of 17.90, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]propyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).