dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane

C54H36N2SSi — CID 170779721

IUPACdibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc54)ccc32)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-16-37(17-5-1)55-50-26-14-11-23-44(50)47-34-38(28-32-51(47)55)56-49-25-13-10-22-43(49)45-31-29-42(36-52(45)56)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-33-54-48(35-41)46-24-12-15-27-53(46)57-54/h1-36H
InChIKeyDANKDEXWDSKQIF-UHFFFAOYSA-N
MW773.05 g/mol
LogP11.63
Rot. Bonds6

About dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane

dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane (PubChem CID 170779721) has the molecular formula C54H36N2SSi and a molecular weight of 773.05 g/mol. Its IUPAC name is dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane.

Molecular Properties

Compound Namedibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
PubChem CID170779721
Molecular FormulaC54H36N2SSi
Molecular Weight773.05 g/mol
Exact Mass772.24
IUPAC Namedibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc54)ccc32)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-16-37(17-5-1)55-50-26-14-11-23-44(50)47-34-38(28-32-51(47)55)56-49-25-13-10-22-43(49)45-31-29-42(36-52(45)56)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-33-54-48(35-41)46-24-12-15-27-53(46)57-54/h1-36H
InChIKeyDANKDEXWDSKQIF-UHFFFAOYSA-N
XLogP11.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.05
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
CID 58049768
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
triphenyl-[3-[3-[3-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
diphenyl-(9-phenylcarbazol-2-yl)-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 140842640

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane?
The IUPAC name of dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane (CID 170779721) is dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane.
What is the SMILES notation for dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane?
The canonical SMILES for dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc54)ccc32)cc1.
What is the InChIKey of dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane?
The InChIKey is DANKDEXWDSKQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2SSi/c1-4-16-37(17-5-1)55-50-26-14-11-23-44(50)47-34-38(28-32-51(47)55)56-49-25-13-10-22-43(49)45-31-29-42(36-52(45)56)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-33-54-48(35-41)46-24-12-15-27-53(46)57-54/h1-36H.
What are the key properties of dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane?
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane has a molecular weight of 773.05 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane is sourced from PubChem (CID 170779721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).