benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane

C96H64N8S4Si2 — CID 158681040

About benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane

benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane (PubChem CID 158681040) has the molecular formula C96H64N8S4Si2 and a molecular weight of 1514.06 g/mol. Its IUPAC name is benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
• PubChem CID: 158681040
• Molecular Formula: C96H64N8S4Si2
• Molecular Weight: 1514.06 g/mol
• Exact Mass: 1512.37
• IUPAC Name: benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
• SMILES: Cc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc4c(cc3C)nc3sc5ccccc5n34)c2)c1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sc6ccccc6n5c4c3)c2)c2ccc3nc4sc5ccccc5n4c3c2)cc1
• InChI: InChI=1S/C52H36N4S2Si.C44H28N4S2Si/c1-33-27-43-47(55-45-23-9-11-25-49(45)57-51(55)53-43)31-41(33)35-15-13-21-39(29-35)59(37-17-5-3-6-18-37,38-19-7-4-8-20-38)40-22-14-16-36(30-40)42-32-48-44(28-34(42)2)54-52-56(48)46-24-10-12-26-50(46)58-52;1-3-13-31(14-4-1)51(32-15-5-2-6-16-32,34-23-25-36-40(28-34)48-38-19-8-10-21-42(38)50-44(48)46-36)33-17-11-12-29(26-33)30-22-24-35-39(27-30)47-37-18-7-9-20-41(37)49-43(47)45-35/h3-32H,1-2H3;1-28H
• InChIKey: IFDBJMGECGNZOY-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 69.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1514.06
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane?

The IUPAC name of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane (CID 158681040) is benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane.

What is the SMILES notation for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane?

The canonical SMILES for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane is Cc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc4c(cc3C)nc3sc5ccccc5n34)c2)c1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sc6ccccc6n5c4c3)c2)c2ccc3nc4sc5ccccc5n4c3c2)cc1.

What is the InChIKey of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane?

The InChIKey is IFDBJMGECGNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4S2Si.C44H28N4S2Si/c1-33-27-43-47(55-45-23-9-11-25-49(45)57-51(55)53-43)31-41(33)35-15-13-21-39(29-35)59(37-17-5-3-6-18-37,38-19-7-4-8-20-38)40-22-14-16-36(30-40)42-32-48-44(28-34(42)2)54-52-56(48)46-24-10-12-26-50(46)58-52;1-3-13-31(14-4-1)51(32-15-5-2-6-16-32,34-23-25-36-40(28-34)48-38-19-8-10-21-42(38)50-44(48)46-36)33-17-11-12-29(26-33)30-22-24-35-39(27-30)47-37-18-7-9-20-41(37)49-43(47)45-35/h3-32H,1-2H3;1-28H.

What are the key properties of benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane?

benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane has a molecular weight of 1514.06 g/mol, XLogP of 19.81, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 158681040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).