9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole

C80H51NSSi — CID 158495157

IUPAC9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)cc32)cc1
InChIInChI=1S/C80H51NSSi/c1-3-19-63(20-4-1)83(64-21-5-2-6-22-64)79-50-61(60-40-46-78-74(49-60)69-25-11-12-28-77(69)82-78)37-42-70(79)71-43-41-62(51-80(71)83)81-75-44-38-58(52-29-33-56(34-30-52)67-26-13-17-54-15-7-9-23-65(54)67)47-72(75)73-48-59(39-45-76(73)81)53-31-35-57(36-32-53)68-27-14-18-55-16-8-10-24-66(55)68/h1-51H
InChIKeyHJEOTZFSWNWPLI-UHFFFAOYSA-N
MW1086.45 g/mol
LogP19.15
Rot. Bonds8

About 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole

9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole (PubChem CID 158495157) has the molecular formula C80H51NSSi and a molecular weight of 1086.45 g/mol. Its IUPAC name is 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
PubChem CID158495157
Molecular FormulaC80H51NSSi
Molecular Weight1086.45 g/mol
Exact Mass1085.35
IUPAC Name9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)cc32)cc1
InChIInChI=1S/C80H51NSSi/c1-3-19-63(20-4-1)83(64-21-5-2-6-22-64)79-50-61(60-40-46-78-74(49-60)69-25-11-12-28-77(69)82-78)37-42-70(79)71-43-41-62(51-80(71)83)81-75-44-38-58(52-29-33-56(34-30-52)67-26-13-17-54-15-7-9-23-65(54)67)47-72(75)73-48-59(39-45-76(73)81)53-31-35-57(36-32-53)68-27-14-18-55-16-8-10-24-66(55)68/h1-51H
InChIKeyHJEOTZFSWNWPLI-UHFFFAOYSA-N
XLogP19.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.45
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 144938492
CID 144938492
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9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
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9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 159777371
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole?
The IUPAC name of 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole (CID 158495157) is 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole is c1ccc([Si]2(c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)cc32)cc1.
What is the InChIKey of 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole?
The InChIKey is HJEOTZFSWNWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51NSSi/c1-3-19-63(20-4-1)83(64-21-5-2-6-22-64)79-50-61(60-40-46-78-74(49-60)69-25-11-12-28-77(69)82-78)37-42-70(79)71-43-41-62(51-80(71)83)81-75-44-38-58(52-29-33-56(34-30-52)67-26-13-17-54-15-7-9-23-65(54)67)47-72(75)73-48-59(39-45-76(73)81)53-31-35-57(36-32-53)68-27-14-18-55-16-8-10-24-66(55)68/h1-51H.
What are the key properties of 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole?
9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole has a molecular weight of 1086.45 g/mol, XLogP of 19.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 158495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).