diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane

C42H28N4S2Si — CID 153462959

IUPACdiphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sccn5c4c3)c2)c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1
InChIInChI=1S/C42H28N4S2Si/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34,35-15-7-9-29(25-35)31-17-19-37-39(27-31)45-21-23-47-41(45)43-37)36-16-8-10-30(26-36)32-18-20-38-40(28-32)46-22-24-48-42(46)44-38/h1-28H
InChIKeyVINPRPHKLRVQKZ-UHFFFAOYSA-N
MW680.93 g/mol
LogP8.12
Rot. Bonds6

About diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane

diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane (PubChem CID 153462959) has the molecular formula C42H28N4S2Si and a molecular weight of 680.93 g/mol. Its IUPAC name is diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane.

Molecular Properties

Compound Namediphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane
PubChem CID153462959
Molecular FormulaC42H28N4S2Si
Molecular Weight680.93 g/mol
Exact Mass680.15
IUPAC Namediphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sccn5c4c3)c2)c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1
InChIInChI=1S/C42H28N4S2Si/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34,35-15-7-9-29(25-35)31-17-19-37-39(27-31)45-21-23-47-41(45)43-37)36-16-8-10-30(26-36)32-18-20-38-40(28-32)46-22-24-48-42(46)44-38/h1-28H
InChIKeyVINPRPHKLRVQKZ-UHFFFAOYSA-N
XLogP8.12
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.93
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane?
The IUPAC name of diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane (CID 153462959) is diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane.
What is the SMILES notation for diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane?
The canonical SMILES for diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sccn5c4c3)c2)c2cccc(-c3ccc4nc5sccn5c4c3)c2)cc1.
What is the InChIKey of diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane?
The InChIKey is VINPRPHKLRVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4S2Si/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34,35-15-7-9-29(25-35)31-17-19-37-39(27-31)45-21-23-47-41(45)43-37)36-16-8-10-30(26-36)32-18-20-38-40(28-32)46-22-24-48-42(46)44-38/h1-28H.
What are the key properties of diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane?
diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane has a molecular weight of 680.93 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane is sourced from PubChem (CID 153462959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).