[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane

C54H36N2SSi — CID 164756561

IUPAC[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H
InChIKeyCDKYOQZKLYELBN-UHFFFAOYSA-N
MW773.05 g/mol
LogP11.63
Rot. Bonds6

About [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane

[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane (PubChem CID 164756561) has the molecular formula C54H36N2SSi and a molecular weight of 773.05 g/mol. Its IUPAC name is [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
PubChem CID164756561
Molecular FormulaC54H36N2SSi
Molecular Weight773.05 g/mol
Exact Mass772.24
IUPAC Name[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H
InChIKeyCDKYOQZKLYELBN-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

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
[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane
CID 177105280
[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane
CID 171416899
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779772
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458393
(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458575
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562

Frequently Asked Questions

What is the IUPAC name of [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The IUPAC name of [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane (CID 164756561) is [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The InChIKey is CDKYOQZKLYELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2SSi/c1-4-17-39(18-5-1)58(40-19-6-2-7-20-40,41-21-8-3-9-22-41)53-30-16-28-50-54(53)44-25-11-14-27-48(44)56(50)37-31-33-49-45(35-37)42-23-10-13-26-47(42)55(49)38-32-34-52-46(36-38)43-24-12-15-29-51(43)57-52/h1-36H.
What are the key properties of [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane 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 [9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 164756561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).