(3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane

C82H53NSSi — CID 146792326

About (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 146792326) has the molecular formula C82H53NSSi and a molecular weight of 1112.49 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane
• PubChem CID: 146792326
• Molecular Formula: C82H53NSSi
• Molecular Weight: 1112.49 g/mol
• Exact Mass: 1111.37
• IUPAC Name: (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2c(-c4cc(-c5ccc6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6c5)cc5ccccc45)cccc23)cc1
• InChI: InChI=1S/C82H53NSSi/c1-3-26-64(27-4-1)85(65-28-5-2-6-29-65,66-30-18-25-63(53-66)83-78-40-15-13-35-71(78)72-36-14-16-41-79(72)83)80-42-20-39-74-73-37-19-38-75(81(73)84-82(74)80)77-52-62(50-59-21-7-10-32-68(59)77)58-46-45-56-47-55(43-44-57(56)48-58)54-23-17-24-60(49-54)76-51-61-22-8-9-31-67(61)69-33-11-12-34-70(69)76/h1-53H
• InChIKey: RWBOTYRKQNTWLT-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.49
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane (CID 146792326) is (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2c(-c4cc(-c5ccc6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6c5)cc5ccccc45)cccc23)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane?

The InChIKey is RWBOTYRKQNTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53NSSi/c1-3-26-64(27-4-1)85(65-28-5-2-6-29-65,66-30-18-25-63(53-66)83-78-40-15-13-35-71(78)72-36-14-16-41-79(72)83)80-42-20-39-74-73-37-19-38-75(81(73)84-82(74)80)77-52-62(50-59-21-7-10-32-68(59)77)58-46-45-56-47-55(43-44-57(56)48-58)54-23-17-24-60(49-54)76-51-61-22-8-9-31-67(61)69-33-11-12-34-70(69)76/h1-53H.

What are the key properties of (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane?

(3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane has a molecular weight of 1112.49 g/mol, XLogP of 19.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-[6-[3-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 146792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).