[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane

C84H56N2SSi2 — CID 154007185

About [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane (PubChem CID 154007185) has the molecular formula C84H56N2SSi2 and a molecular weight of 1181.63 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane.

Molecular Properties

• Compound Name: [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
• PubChem CID: 154007185
• Molecular Formula: C84H56N2SSi2
• Molecular Weight: 1181.63 g/mol
• Exact Mass: 1180.37
• IUPAC Name: [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6c5sc5ccccc56)cc4c4ccccc4c3c2)cc1
• InChI: InChI=1S/C84H56N2SSi2/c1-5-26-59(27-6-1)88(60-28-7-2-8-29-60,63-34-23-25-57(53-63)85-80-44-21-17-39-72(80)77-54-58(47-52-81(77)85)86-78-42-19-15-37-70(78)71-38-16-20-43-79(71)86)64-48-50-68-69-51-49-65(56-76(69)67-36-14-13-35-66(67)75(68)55-64)89(61-30-9-3-10-31-61,62-32-11-4-12-33-62)83-46-24-41-74-73-40-18-22-45-82(73)87-84(74)83/h1-56H
• InChIKey: FNPNMVPWRIXGNF-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.63
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane?

The IUPAC name of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane (CID 154007185) is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane.

What is the SMILES notation for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane?

The canonical SMILES for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6c5sc5ccccc56)cc4c4ccccc4c3c2)cc1.

What is the InChIKey of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane?

The InChIKey is FNPNMVPWRIXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2SSi2/c1-5-26-59(27-6-1)88(60-28-7-2-8-29-60,63-34-23-25-57(53-63)85-80-44-21-17-39-72(80)77-54-58(47-52-81(77)85)86-78-42-19-15-37-70(78)71-38-16-20-43-79(71)86)64-48-50-68-69-51-49-65(56-76(69)67-36-14-13-35-66(67)75(68)55-64)89(61-30-9-3-10-31-61,62-32-11-4-12-33-62)83-46-24-41-74-73-40-18-22-45-82(73)87-84(74)83/h1-56H.

What are the key properties of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane?

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane has a molecular weight of 1181.63 g/mol, XLogP of 16.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane is sourced from PubChem (CID 154007185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).