[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

C72H48N2SSi — CID 168762399

About [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (PubChem CID 168762399) has the molecular formula C72H48N2SSi and a molecular weight of 1001.34 g/mol. Its IUPAC name is [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
• PubChem CID: 168762399
• Molecular Formula: C72H48N2SSi
• Molecular Weight: 1001.34 g/mol
• Exact Mass: 1000.33
• IUPAC Name: [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
• SMILES: c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cccc7sc8ccccc8c67)c54)ccc32)cc1
• InChI: InChI=1S/C72H48N2SSi/c1-6-24-49(25-7-1)62-47-55(76(52-28-10-3-11-29-52,53-30-12-4-13-31-53)54-32-14-5-15-33-54)48-63(50-26-8-2-9-27-50)72(62)74-66-41-20-17-35-57(66)64-46-51(44-45-67(64)74)73-65-40-19-16-34-56(65)59-38-22-39-60(71(59)73)58-37-23-43-69-70(58)61-36-18-21-42-68(61)75-69/h1-48H
• InChIKey: GYYNOHYMXNRZFU-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.34
LogP ≤ 5	16.63
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-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The IUPAC name of [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (CID 168762399) is [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.

What is the SMILES notation for [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The canonical SMILES for [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cccc7sc8ccccc8c67)c54)ccc32)cc1.

What is the InChIKey of [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The InChIKey is GYYNOHYMXNRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2SSi/c1-6-24-49(25-7-1)62-47-55(76(52-28-10-3-11-29-52,53-30-12-4-13-31-53)54-32-14-5-15-33-54)48-63(50-26-8-2-9-27-50)72(62)74-66-41-20-17-35-57(66)64-46-51(44-45-67(64)74)73-65-40-19-16-34-56(65)59-38-22-39-60(71(59)73)58-37-23-43-69-70(58)61-36-18-21-42-68(61)75-69/h1-48H.

What are the key properties of [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane has a molecular weight of 1001.34 g/mol, XLogP of 16.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is sourced from PubChem (CID 168762399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).