[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane

C58H42N6OSi2 — CID 168793064

IUPAC[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
SMILES[2H]C([2H])([2H])[Si]1(C([2H])([2H])[2H])c2ccccc2Oc2c([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5n5c6cc(-n7c8ccccc8n8c9ccccc9nc78)ccc6nc45)c3)cccc21
InChIInChI=1S/C58H42N6OSi2/c1-66(2)53-32-16-15-31-52(53)65-56-54(66)33-18-34-55(56)67(41-20-5-3-6-21-41,42-22-7-4-8-23-42)43-24-17-19-39(37-43)61-48-28-12-14-30-50(48)64-51-38-40(35-36-45(51)60-58(61)64)62-47-27-11-13-29-49(47)63-46-26-10-9-25-44(46)59-57(62)63/h3-38H,1-2H3/i1D3,2D3
InChIKeyKGGCYWXJNXTOSB-WFGJKAKNSA-N
MW901.22 g/mol
LogP9.48
Rot. Bonds8

About [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane

[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane (PubChem CID 168793064) has the molecular formula C58H42N6OSi2 and a molecular weight of 901.22 g/mol. Its IUPAC name is [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane.

Molecular Properties

Compound Name[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
PubChem CID168793064
Molecular FormulaC58H42N6OSi2
Molecular Weight901.22 g/mol
Exact Mass900.33
IUPAC Name[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
SMILES[2H]C([2H])([2H])[Si]1(C([2H])([2H])[2H])c2ccccc2Oc2c([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5n5c6cc(-n7c8ccccc8n8c9ccccc9nc78)ccc6nc45)c3)cccc21
InChIInChI=1S/C58H42N6OSi2/c1-66(2)53-32-16-15-31-52(53)65-56-54(66)33-18-34-55(56)67(41-20-5-3-6-21-41,42-22-7-4-8-23-42)43-24-17-19-39(37-43)61-48-28-12-14-30-50(48)64-51-38-40(35-36-45(51)60-58(61)64)62-47-27-11-13-29-49(47)63-46-26-10-9-25-44(46)59-57(62)63/h3-38H,1-2H3/i1D3,2D3
InChIKeyKGGCYWXJNXTOSB-WFGJKAKNSA-N
XLogP9.48
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.22
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane with MolForge

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Related Compounds

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[10,10-bis[tris(trideuteriomethyl)silyl]benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
CID 168793011
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 161279212
[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 140919996
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 167413378
CID 174068643
CID 174068643
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
CID 174068644
CID 174068644
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[1,1,4,4,4-pentadeuterio-3-methyl-3-(trideuteriomethyl)butyl]xanthen-4-yl]-diphenylsilane
CID 158938346
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[1,3-thiazol-2-yl-bis(trideuteriomethyl)silyl]xanthen-4-yl]-diphenylsilane
CID 167413434
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(5,6-diphenylbenzo[c][5,1,2]benzoxazaborepin-1-yl)-diphenylsilane
CID 140937477
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556

Frequently Asked Questions

What is the IUPAC name of [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane?
The IUPAC name of [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane (CID 168793064) is [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane.
What is the SMILES notation for [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane?
The canonical SMILES for [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane is [2H]C([2H])([2H])[Si]1(C([2H])([2H])[2H])c2ccccc2Oc2c([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5n5c6cc(-n7c8ccccc8n8c9ccccc9nc78)ccc6nc45)c3)cccc21.
What is the InChIKey of [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane?
The InChIKey is KGGCYWXJNXTOSB-WFGJKAKNSA-N. The full InChI is InChI=1S/C58H42N6OSi2/c1-66(2)53-32-16-15-31-52(53)65-56-54(66)33-18-34-55(56)67(41-20-5-3-6-21-41,42-22-7-4-8-23-42)43-24-17-19-39(37-43)61-48-28-12-14-30-50(48)64-51-38-40(35-36-45(51)60-58(61)64)62-47-27-11-13-29-49(47)63-46-26-10-9-25-44(46)59-57(62)63/h3-38H,1-2H3/i1D3,2D3.
What are the key properties of [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane?
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane has a molecular weight of 901.22 g/mol, XLogP of 9.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane is sourced from PubChem (CID 168793064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).