[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane

C60H54N2OSSi — CID 140920062

IUPAC[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C
InChIInChI=1S/C60H54N2OSSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8/h9-38H,1-8H3
InChIKeyZHAMUZIPAZVQLS-UHFFFAOYSA-N
MW879.26 g/mol
LogP13.44
Rot. Bonds6

About [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane

[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane (PubChem CID 140920062) has the molecular formula C60H54N2OSSi and a molecular weight of 879.26 g/mol. Its IUPAC name is [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane
PubChem CID140920062
Molecular FormulaC60H54N2OSSi
Molecular Weight879.26 g/mol
Exact Mass878.37
IUPAC Name[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane
SMILESCC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C
InChIInChI=1S/C60H54N2OSSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8/h9-38H,1-8H3
InChIKeyZHAMUZIPAZVQLS-UHFFFAOYSA-N
XLogP13.44
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.26
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane?
The IUPAC name of [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane (CID 140920062) is [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane.
What is the SMILES notation for [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane?
The canonical SMILES for [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane is CC(C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)c(-c3cccc4c3nc3sc5ccccc5n34)c2)cc1-c1cccc2c1Oc1ccccc1C2(C)C.
What is the InChIKey of [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane?
The InChIKey is ZHAMUZIPAZVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2OSSi/c1-58(2,3)47-35-33-41(37-45(47)43-25-20-30-52-55(43)61-57-62(52)51-29-16-18-32-54(51)64-57)65(39-21-11-9-12-22-39,40-23-13-10-14-24-40)42-34-36-48(59(4,5)6)46(38-42)44-26-19-28-50-56(44)63-53-31-17-15-27-49(53)60(50,7)8/h9-38H,1-8H3.
What are the key properties of [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane?
[3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane has a molecular weight of 879.26 g/mol, XLogP of 13.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-4-tert-butylphenyl]-[4-tert-butyl-3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 140920062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).