[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane

C56H38N2SSi — CID 123963134

About [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane

[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 123963134) has the molecular formula C56H38N2SSi and a molecular weight of 799.09 g/mol. Its IUPAC name is [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 123963134
• Molecular Formula: C56H38N2SSi
• Molecular Weight: 799.09 g/mol
• Exact Mass: 798.25
• IUPAC Name: [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-c5ccc(-n6c7ccccc7c7sc8ccccc8c76)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C56H38N2SSi/c1-4-16-43(17-5-1)60(44-18-6-2-7-19-44,45-20-8-3-9-21-45)46-35-33-41(34-36-46)57-51-25-13-10-22-47(51)48-37-30-40(38-53(48)57)39-28-31-42(32-29-39)58-52-26-14-11-23-49(52)56-55(58)50-24-12-15-27-54(50)59-56/h1-38H
• InChIKey: GTNGOXACIPBPML-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.09
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane (CID 123963134) is [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-c5ccc(-n6c7ccccc7c7sc8ccccc8c76)cc5)cc43)cc2)cc1.

What is the InChIKey of [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is GTNGOXACIPBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2SSi/c1-4-16-43(17-5-1)60(44-18-6-2-7-19-44,45-20-8-3-9-21-45)46-35-33-41(34-36-46)57-51-25-13-10-22-47(51)48-37-30-40(38-53(48)57)39-28-31-42(32-29-39)58-52-26-14-11-23-49(52)56-55(58)50-24-12-15-27-54(50)59-56/h1-38H.

What are the key properties of [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane?

[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 799.09 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 123963134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).