[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C82H60N4OPtSi-2 — CID 171426870

IUPAC[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
InChIInChI=1S/C82H60N4OSi.Pt/c1-82(2,3)65-48-49-83-80(54-65)86-75-42-23-22-40-73(75)74-46-45-68(56-77(74)86)87-67-33-24-32-66(55-67)84-57-85(76-47-44-61(53-78(76)84)58-26-10-4-11-27-58)81-72(64-51-62(59-28-12-5-13-29-59)50-63(52-64)60-30-14-6-15-31-60)41-25-43-79(81)88(69-34-16-7-17-35-69,70-36-18-8-19-37-70)71-38-20-9-21-39-71;/h4-54H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,28D,29D,30D,31D,34D,35D,36D,37D,38D,39D,50D,51D,52D;
InChIKeyOELKHALJQPPPGJ-YRIAKFPMSA-N
MW1373.77 g/mol
LogP16.93
Rot. Bonds13

About [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171426870) has the molecular formula C82H60N4OPtSi-2 and a molecular weight of 1373.77 g/mol. Its IUPAC name is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

Compound Name[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
PubChem CID171426870
Molecular FormulaC82H60N4OPtSi-2
Molecular Weight1373.77 g/mol
Exact Mass1372.63
IUPAC Name[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
InChIInChI=1S/C82H60N4OSi.Pt/c1-82(2,3)65-48-49-83-80(54-65)86-75-42-23-22-40-73(75)74-46-45-68(56-77(74)86)87-67-33-24-32-66(55-67)84-57-85(76-47-44-61(53-78(76)84)58-26-10-4-11-27-58)81-72(64-51-62(59-28-12-5-13-29-59)50-63(52-64)60-30-14-6-15-31-60)41-25-43-79(81)88(69-34-16-7-17-35-69,70-36-18-8-19-37-70)71-38-20-9-21-39-71;/h4-54H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,28D,29D,30D,31D,34D,35D,36D,37D,38D,39D,50D,51D,52D;
InChIKeyOELKHALJQPPPGJ-YRIAKFPMSA-N
XLogP16.93
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.77
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum with MolForge

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Related Compounds

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426749
[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426660
2-[3-[3-[2-(3-tert-butylphenyl)-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426822
[5-tert-butyl-3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171428513
[3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426762
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,4-ditert-butyl-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171427751
2-[3-[3-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171428323
[3-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-1-[2-(3,5-ditert-butylphenyl)-6-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-2H-benzimidazol-1-ium-2-id-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426691
[2-[5-[2,6-bis(trideuteriomethyl)phenyl]-3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171427238
[5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171428431
2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171427017
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2,6-bis[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171428401

Frequently Asked Questions

What is the IUPAC name of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The IUPAC name of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171426870) is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.
What is the SMILES notation for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The canonical SMILES for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt].
What is the InChIKey of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The InChIKey is OELKHALJQPPPGJ-YRIAKFPMSA-N. The full InChI is InChI=1S/C82H60N4OSi.Pt/c1-82(2,3)65-48-49-83-80(54-65)86-75-42-23-22-40-73(75)74-46-45-68(56-77(74)86)87-67-33-24-32-66(55-67)84-57-85(76-47-44-61(53-78(76)84)58-26-10-4-11-27-58)81-72(64-51-62(59-28-12-5-13-29-59)50-63(52-64)60-30-14-6-15-31-60)41-25-43-79(81)88(69-34-16-7-17-35-69,70-36-18-8-19-37-70)71-38-20-9-21-39-71;/h4-54H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,28D,29D,30D,31D,34D,35D,36D,37D,38D,39D,50D,51D,52D;.
What are the key properties of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1373.77 g/mol, XLogP of 16.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171426870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).