3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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 90089796

IUPAC3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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(-c6ccc7sc8ccccc8c7c6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C96H60N2S2Si2/c1-5-21-69(22-6-1)101(70-23-7-2-8-24-70)93-35-19-15-31-75(93)83-59-67(43-51-95(83)101)97-85-45-37-61(53-77(85)79-55-63(39-47-87(79)97)65-41-49-91-81(57-65)73-29-13-17-33-89(73)99-91)62-38-46-86-78(54-62)80-56-64(66-42-50-92-82(58-66)74-30-14-18-34-90(74)100-92)40-48-88(80)98(86)68-44-52-96-84(60-68)76-32-16-20-36-94(76)102(96,71-25-9-3-10-26-71)72-27-11-4-12-28-72/h1-60H
InChIKeyBAXBIUGSIMJOSU-UHFFFAOYSA-N
MW1361.86 g/mol
LogP20.33
Rot. Bonds9

About 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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 90089796) has the molecular formula C96H60N2S2Si2 and a molecular weight of 1361.86 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole
PubChem CID90089796
Molecular FormulaC96H60N2S2Si2
Molecular Weight1361.86 g/mol
Exact Mass1360.37
IUPAC Name3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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(-c6ccc7sc8ccccc8c7c6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C96H60N2S2Si2/c1-5-21-69(22-6-1)101(70-23-7-2-8-24-70)93-35-19-15-31-75(93)83-59-67(43-51-95(83)101)97-85-45-37-61(53-77(85)79-55-63(39-47-87(79)97)65-41-49-91-81(57-65)73-29-13-17-33-89(73)99-91)62-38-46-86-78(54-62)80-56-64(66-42-50-92-82(58-66)74-30-14-18-34-90(74)100-92)40-48-88(80)98(86)68-44-52-96-84(60-68)76-32-16-20-36-94(76)102(96,71-25-9-3-10-26-71)72-27-11-4-12-28-72/h1-60H
InChIKeyBAXBIUGSIMJOSU-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-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-3-yl]-9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazole (CID 90089796) is 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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(-c6ccc7sc8ccccc8c7c6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccc7c(c6)-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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 BAXBIUGSIMJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N2S2Si2/c1-5-21-69(22-6-1)101(70-23-7-2-8-24-70)93-35-19-15-31-75(93)83-59-67(43-51-95(83)101)97-85-45-37-61(53-77(85)79-55-63(39-47-87(79)97)65-41-49-91-81(57-65)73-29-13-17-33-89(73)99-91)62-38-46-86-78(54-62)80-56-64(66-42-50-92-82(58-66)74-30-14-18-34-90(74)100-92)40-48-88(80)98(86)68-44-52-96-84(60-68)76-32-16-20-36-94(76)102(96,71-25-9-3-10-26-71)72-27-11-4-12-28-72/h1-60H.
What are the key properties of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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-2-yl-6-[6-dibenzothiophen-2-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 90089796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).