[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane

C55H42N4OSi — CID 163789166

IUPAC[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane
SMILES[2H]C([2H])([2H])c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cc(C)c5nc6oc7ccccc7n6c5c4C)c3)c2)c(C)c2c1nc1n2-c2ccccc2C1
InChIInChI=1S/C55H42N4OSi/c1-34-29-45(36(3)53-51(34)56-50-33-40-17-11-12-26-47(40)58(50)53)38-18-15-24-43(31-38)61(41-20-7-5-8-21-41,42-22-9-6-10-23-42)44-25-16-19-39(32-44)46-30-35(2)52-54(37(46)4)59-48-27-13-14-28-49(48)60-55(59)57-52/h5-32H,33H2,1-4H3/i1D3
InChIKeyFQFKNDFRDWHSOI-FIBGUPNXSA-N
MW806.07 g/mol
LogP10.42
Rot. Bonds7

About [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane

[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane (PubChem CID 163789166) has the molecular formula C55H42N4OSi and a molecular weight of 806.07 g/mol. Its IUPAC name is [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane
PubChem CID163789166
Molecular FormulaC55H42N4OSi
Molecular Weight806.07 g/mol
Exact Mass805.33
IUPAC Name[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane
SMILES[2H]C([2H])([2H])c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cc(C)c5nc6oc7ccccc7n6c5c4C)c3)c2)c(C)c2c1nc1n2-c2ccccc2C1
InChIInChI=1S/C55H42N4OSi/c1-34-29-45(36(3)53-51(34)56-50-33-40-17-11-12-26-47(40)58(50)53)38-18-15-24-43(31-38)61(41-20-7-5-8-21-41,42-22-9-6-10-23-42)44-25-16-19-39(32-44)46-30-35(2)52-54(37(46)4)59-48-27-13-14-28-49(48)60-55(59)57-52/h5-32H,33H2,1-4H3/i1D3
InChIKeyFQFKNDFRDWHSOI-FIBGUPNXSA-N
XLogP10.42
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane with MolForge

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Related Compounds

[3-(11H-indolo[1,2-a]benzimidazol-7-yl)phenyl]-methyl-diphenylsilane
CID 158000610
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
CID 153462915
9-(3,7-dimethylquinazolin-3-ium-4-yl)-8-methyl-7-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole
CID 159483407
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane
CID 169282051
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
CID 59691080
[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane
CID 165041569
triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 169290688
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691113
[3-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490205
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222

Frequently Asked Questions

What is the IUPAC name of [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane?
The IUPAC name of [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane (CID 163789166) is [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane.
What is the SMILES notation for [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane?
The canonical SMILES for [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane is [2H]C([2H])([2H])c1cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cc(C)c5nc6oc7ccccc7n6c5c4C)c3)c2)c(C)c2c1nc1n2-c2ccccc2C1.
What is the InChIKey of [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane?
The InChIKey is FQFKNDFRDWHSOI-FIBGUPNXSA-N. The full InChI is InChI=1S/C55H42N4OSi/c1-34-29-45(36(3)53-51(34)56-50-33-40-17-11-12-26-47(40)58(50)53)38-18-15-24-43(31-38)61(41-20-7-5-8-21-41,42-22-9-6-10-23-42)44-25-16-19-39(32-44)46-30-35(2)52-54(37(46)4)59-48-27-13-14-28-49(48)60-55(59)57-52/h5-32H,33H2,1-4H3/i1D3.
What are the key properties of [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane?
[3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane has a molecular weight of 806.07 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7,10-dimethylbenzimidazolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-[3-[6-methyl-9-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazol-7-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 163789166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).