3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole

C96H60N2S2Si2 — CID 90089804

IUPAC3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-n4c5ccc(-c6ccc7c(c6)c6cc(-c8cccc9c8sc8ccccc89)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc32)cc1
InChIInChI=1S/C96H60N2S2Si2/c1-5-23-67(24-6-1)101(68-25-7-2-8-26-68)91-41-19-15-33-75(91)83-59-65(47-53-93(83)101)97-85-49-43-61(55-79(85)81-57-63(45-51-87(81)97)71-35-21-37-77-73-31-13-17-39-89(73)99-95(71)77)62-44-50-86-80(56-62)82-58-64(72-36-22-38-78-74-32-14-18-40-90(74)100-96(72)78)46-52-88(82)98(86)66-48-54-94-84(60-66)76-34-16-20-42-92(76)102(94,69-27-9-3-10-28-69)70-29-11-4-12-30-70/h1-60H
InChIKeyUSILDRQRABFCSJ-UHFFFAOYSA-N
MW1361.86 g/mol
LogP20.33
Rot. Bonds9

About 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole

3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole (PubChem CID 90089804) has the molecular formula C96H60N2S2Si2 and a molecular weight of 1361.86 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole
PubChem CID90089804
Molecular FormulaC96H60N2S2Si2
Molecular Weight1361.86 g/mol
Exact Mass1360.37
IUPAC Name3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-n4c5ccc(-c6ccc7c(c6)c6cc(-c8cccc9c8sc8ccccc89)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc32)cc1
InChIInChI=1S/C96H60N2S2Si2/c1-5-23-67(24-6-1)101(68-25-7-2-8-26-68)91-41-19-15-33-75(91)83-59-65(47-53-93(83)101)97-85-49-43-61(55-79(85)81-57-63(45-51-87(81)97)71-35-21-37-77-73-31-13-17-39-89(73)99-95(71)77)62-44-50-86-80(56-62)82-58-64(72-36-22-38-78-74-32-14-18-40-90(74)100-96(72)78)46-52-88(82)98(86)66-48-54-94-84(60-66)76-34-16-20-42-92(76)102(94,69-27-9-3-10-28-69)70-29-11-4-12-30-70/h1-60H
InChIKeyUSILDRQRABFCSJ-UHFFFAOYSA-N
XLogP20.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.86
LogP ≤ 520.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole (CID 90089804) is 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-n4c5ccc(-c6ccc7c(c6)c6cc(-c8cccc9c8sc8ccccc89)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole?
The InChIKey is USILDRQRABFCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N2S2Si2/c1-5-23-67(24-6-1)101(68-25-7-2-8-26-68)91-41-19-15-33-75(91)83-59-65(47-53-93(83)101)97-85-49-43-61(55-79(85)81-57-63(45-51-87(81)97)71-35-21-37-77-73-31-13-17-39-89(73)99-95(71)77)62-44-50-86-80(56-62)82-58-64(72-36-22-38-78-74-32-14-18-40-90(74)100-96(72)78)46-52-88(82)98(86)66-48-54-94-84(60-66)76-34-16-20-42-92(76)102(94,69-27-9-3-10-28-69)70-29-11-4-12-30-70/h1-60H.
What are the key properties of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole?
3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole has a molecular weight of 1361.86 g/mol, XLogP of 20.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole is sourced from PubChem (CID 90089804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).