[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane

C47H32N2SSi — CID 156664882

IUPAC[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c(cn3)sc3ccccc34)c2)cc1
InChIInChI=1S/C47H32N2SSi/c1-4-16-35(17-5-1)51(36-18-6-2-7-19-36,37-20-8-3-9-21-37)38-22-14-15-33(29-38)34-27-28-44-41(30-34)39-23-10-12-25-43(39)49(44)47-31-42-40-24-11-13-26-45(40)50-46(42)32-48-47/h1-32H
InChIKeyXBFCSBPHVJWGCU-UHFFFAOYSA-N
MW684.94 g/mol
LogP9.59
Rot. Bonds6

About [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane

[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane (PubChem CID 156664882) has the molecular formula C47H32N2SSi and a molecular weight of 684.94 g/mol. Its IUPAC name is [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
PubChem CID156664882
Molecular FormulaC47H32N2SSi
Molecular Weight684.94 g/mol
Exact Mass684.21
IUPAC Name[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c(cn3)sc3ccccc34)c2)cc1
InChIInChI=1S/C47H32N2SSi/c1-4-16-35(17-5-1)51(36-18-6-2-7-19-36,37-20-8-3-9-21-37)38-22-14-15-33(29-38)34-27-28-44-41(30-34)39-23-10-12-25-43(39)49(44)47-31-42-40-24-11-13-26-45(40)50-46(42)32-48-47/h1-32H
InChIKeyXBFCSBPHVJWGCU-UHFFFAOYSA-N
XLogP9.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.94
LogP ≤ 59.59
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-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
CID 59413762
3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 165160549
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
3-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413753
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020

Frequently Asked Questions

What is the IUPAC name of [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane (CID 156664882) is [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc4c(cn3)sc3ccccc34)c2)cc1.
What is the InChIKey of [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane?
The InChIKey is XBFCSBPHVJWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2SSi/c1-4-16-35(17-5-1)51(36-18-6-2-7-19-36,37-20-8-3-9-21-37)38-22-14-15-33(29-38)34-27-28-44-41(30-34)39-23-10-12-25-43(39)49(44)47-31-42-40-24-11-13-26-45(40)50-46(42)32-48-47/h1-32H.
What are the key properties of [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane?
[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane has a molecular weight of 684.94 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 156664882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).