[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane

C37H26N2OSi — CID 153462915

IUPAC[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4oc5nc6ccccc6n5c4c3)c2)cc1
InChIInChI=1S/C37H26N2OSi/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-20-12-13-27(25-32)28-23-24-36-35(26-28)39-34-22-11-10-21-33(34)38-37(39)40-36/h1-26H
InChIKeyLLWKBFVXIBZWCB-UHFFFAOYSA-N
MW542.71 g/mol
LogP6.28
Rot. Bonds5

About [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane

[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane (PubChem CID 153462915) has the molecular formula C37H26N2OSi and a molecular weight of 542.71 g/mol. Its IUPAC name is [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
PubChem CID153462915
Molecular FormulaC37H26N2OSi
Molecular Weight542.71 g/mol
Exact Mass542.18
IUPAC Name[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4oc5nc6ccccc6n5c4c3)c2)cc1
InChIInChI=1S/C37H26N2OSi/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-20-12-13-27(25-32)28-23-24-36-35(26-28)39-34-22-11-10-21-33(34)38-37(39)40-36/h1-26H
InChIKeyLLWKBFVXIBZWCB-UHFFFAOYSA-N
XLogP6.28
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole
CID 154624038
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
1-nitroso-2,7-diphenylimidazo[2,1-b][1,3]benzoxazole
CID 142724499
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
[3-[3-(7-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-triphenylsilane
CID 140702812
2,9-dibromobenzimidazolo[2,1-b][1,3]benzoxazole
CID 141471417
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409482
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 164778524
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
CID 168836289

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane (CID 153462915) is [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4oc5nc6ccccc6n5c4c3)c2)cc1.
What is the InChIKey of [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane?
The InChIKey is LLWKBFVXIBZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2OSi/c1-4-14-29(15-5-1)41(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-20-12-13-27(25-32)28-23-24-36-35(26-28)39-34-22-11-10-21-33(34)38-37(39)40-36/h1-26H.
What are the key properties of [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane?
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane has a molecular weight of 542.71 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 153462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).