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

C64H71N4OPt-3 — CID 168751479

About 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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 168751479) has the molecular formula C64H71N4OPt-3 and a molecular weight of 1110.40 g/mol. Its IUPAC name is 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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: 168751479
• Molecular Formula: C64H71N4OPt-3
• Molecular Weight: 1110.40 g/mol
• Exact Mass: 1109.55
• IUPAC Name: 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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)c1CCCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C64H71N4O.Pt/c1-43-33-47(62(5,6)7)38-55(45-35-48(63(8,9)10)37-49(36-45)64(11,12)13)52(43)23-18-19-32-66-42-67(58-27-17-16-26-57(58)66)50-22-20-21-44(34-50)41-69-51-28-29-54-53-24-14-15-25-56(53)68(59(54)40-51)60-39-46(30-31-65-60)61(2,3)4;/h14-17,20-22,24-31,33,35-39,42H,18-19,23,32,41H2,1-13H3;/q-3;/i1D3
• InChIKey: JWUPUOFQRWARCN-NIIDSAIPSA-N
• XLogP: 16.62
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.40
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168751479) is 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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)c1CCCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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 JWUPUOFQRWARCN-NIIDSAIPSA-N. The full InChI is InChI=1S/C64H71N4O.Pt/c1-43-33-47(62(5,6)7)38-55(45-35-48(63(8,9)10)37-49(36-45)64(11,12)13)52(43)23-18-19-32-66-42-67(58-27-17-16-26-57(58)66)50-22-20-21-44(34-50)41-69-51-28-29-54-53-24-14-15-25-56(53)68(59(54)40-51)60-39-46(30-31-65-60)61(2,3)4;/h14-17,20-22,24-31,33,35-39,42H,18-19,23,32,41H2,1-13H3;/q-3;/i1D3;.

What are the key properties of 2-[[3-[3-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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-[4-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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 1110.40 g/mol, XLogP of 16.62, 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-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(trideuteriomethyl)phenyl]butyl]-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 168751479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).