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

C62H65N4OPt-3 — CID 163668556

IUPAC2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)[CH-]5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C62H65N4O.Pt/c1-40-28-44(59(3,4)5)29-41(2)58(40)43-26-27-63-57(30-43)66-54-23-19-18-22-52(54)53-25-24-50(37-55(53)66)67-51-35-47(62(12,13)14)32-48(36-51)64-38-56(42-20-16-15-17-21-42)65(39-64)49-33-45(60(6,7)8)31-46(34-49)61(9,10)11;/h15-35,38-39H,1-14H3;/q-3;/i1D3;
InChIKeyLLRIJAHJVJAYFD-NIIDSAIPSA-N
MW1080.33 g/mol
LogP16.49
Rot. Bonds8

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

2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 163668556) has the molecular formula C62H65N4OPt-3 and a molecular weight of 1080.33 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID163668556
Molecular FormulaC62H65N4OPt-3
Molecular Weight1080.33 g/mol
Exact Mass1079.50
IUPAC Name2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)[CH-]5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C62H65N4O.Pt/c1-40-28-44(59(3,4)5)29-41(2)58(40)43-26-27-63-57(30-43)66-54-23-19-18-22-52(54)53-25-24-50(37-55(53)66)67-51-35-47(62(12,13)14)32-48(36-51)64-38-56(42-20-16-15-17-21-42)65(39-64)49-33-45(60(6,7)8)31-46(34-49)61(9,10)11;/h15-35,38-39H,1-14H3;/q-3;/i1D3;
InChIKeyLLRIJAHJVJAYFD-NIIDSAIPSA-N
XLogP16.49
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.33
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 163668556) is 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=C(c6ccccc6)N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)[CH-]5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is LLRIJAHJVJAYFD-NIIDSAIPSA-N. The full InChI is InChI=1S/C62H65N4O.Pt/c1-40-28-44(59(3,4)5)29-41(2)58(40)43-26-27-63-57(30-43)66-54-23-19-18-22-52(54)53-25-24-50(37-55(53)66)67-51-35-47(62(12,13)14)32-48(36-51)64-38-56(42-20-16-15-17-21-42)65(39-64)49-33-45(60(6,7)8)31-46(34-49)61(9,10)11;/h15-35,38-39H,1-14H3;/q-3;/i1D3;.
What are the key properties of 2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1080.33 g/mol, XLogP of 16.49, 8 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-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).