dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane

C59H39N3SSi — CID 140924340

About dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane

dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane (PubChem CID 140924340) has the molecular formula C59H39N3SSi and a molecular weight of 850.14 g/mol. Its IUPAC name is dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane.

Molecular Properties

• Compound Name: dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane
• PubChem CID: 140924340
• Molecular Formula: C59H39N3SSi
• Molecular Weight: 850.14 g/mol
• Exact Mass: 849.26
• IUPAC Name: dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)ccn3)cc2)cc1
• InChI: InChI=1S/C59H39N3SSi/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)61-52-27-13-10-23-46(52)50-39-55-51(38-54(50)61)47-24-11-14-28-53(47)62(55)58-37-45(35-36-60-58)64(43-19-6-2-7-20-43,44-21-8-3-9-22-44)57-30-16-26-49-48-25-12-15-29-56(48)63-59(49)57/h1-39H
• InChIKey: ICADXWVIQNAAFU-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 22.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.14
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane?

The IUPAC name of dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane (CID 140924340) is dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane.

What is the SMILES notation for dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane?

The canonical SMILES for dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)ccn3)cc2)cc1.

What is the InChIKey of dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane?

The InChIKey is ICADXWVIQNAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3SSi/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)61-52-27-13-10-23-46(52)50-39-55-51(38-54(50)61)47-24-11-14-28-53(47)62(55)58-37-45(35-36-60-58)64(43-19-6-2-7-20-43,44-21-8-3-9-22-44)57-30-16-26-49-48-25-12-15-29-56(48)63-59(49)57/h1-39H.

What are the key properties of dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane?

dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane has a molecular weight of 850.14 g/mol, XLogP of 12.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane is sourced from PubChem (CID 140924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).