triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane

C58H49NSi2 — CID 59270867

IUPACtriphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane
SMILES[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-n1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3/i1D3,2D3,3D3,34D,35D,36D,37D
InChIKeyWIHKEPSYODOQJR-YQMTZRMUSA-N
MW829.29 g/mol
LogP8.84
Rot. Bonds9

About triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane

triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane (PubChem CID 59270867) has the molecular formula C58H49NSi2 and a molecular weight of 829.29 g/mol. Its IUPAC name is triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane.

Molecular Properties

Compound Nametriphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane
PubChem CID59270867
Molecular FormulaC58H49NSi2
Molecular Weight829.29 g/mol
Exact Mass828.42
IUPAC Nametriphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane
SMILES[2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-n1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3/i1D3,2D3,3D3,34D,35D,36D,37D
InChIKeyWIHKEPSYODOQJR-YQMTZRMUSA-N
XLogP8.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.29
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane with MolForge

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Related Compounds

(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
diphenyl-(9-phenyl-6-triphenylsilylcarbazol-3-yl)phosphane
CID 58049750
(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
CID 59270862
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane?
The IUPAC name of triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane (CID 59270867) is triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane.
What is the SMILES notation for triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane?
The canonical SMILES for triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane is [2H]c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1-n1c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane?
The InChIKey is WIHKEPSYODOQJR-YQMTZRMUSA-N. The full InChI is InChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3/i1D3,2D3,3D3,34D,35D,36D,37D.
What are the key properties of triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane?
triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane has a molecular weight of 829.29 g/mol, XLogP of 8.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[9-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-triphenylsilylcarbazol-3-yl]silane is sourced from PubChem (CID 59270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).