[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane

C36H26N2OSSi — CID 155603041

IUPAC[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
SMILESCO[Si](c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1nccc2c1sc1ccccc12
InChIInChI=1S/C36H26N2OSSi/c1-39-41(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-20-21-33-31(24-27)28-16-8-10-18-32(28)38(33)36-35-30(22-23-37-36)29-17-9-11-19-34(29)40-35/h2-24H,1H3
InChIKeyULXXOMIATDWYSG-UHFFFAOYSA-N
MW562.77 g/mol
LogP7.16
Rot. Bonds5

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

[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane (PubChem CID 155603041) has the molecular formula C36H26N2OSSi and a molecular weight of 562.77 g/mol. Its IUPAC name is [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane.

Molecular Properties

Compound Name[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
PubChem CID155603041
Molecular FormulaC36H26N2OSSi
Molecular Weight562.77 g/mol
Exact Mass562.15
IUPAC Name[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
SMILESCO[Si](c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1nccc2c1sc1ccccc12
InChIInChI=1S/C36H26N2OSSi/c1-39-41(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-20-21-33-31(24-27)28-16-8-10-18-32(28)38(33)36-35-30(22-23-37-36)29-17-9-11-19-34(29)40-35/h2-24H,1H3
InChIKeyULXXOMIATDWYSG-UHFFFAOYSA-N
XLogP7.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.77
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640758
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
CID 171061198
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
CID 146632237
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 163693581
7-carbazol-9-yl-20-phenyl-9-thia-6,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640766
[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane
CID 123944245
(1-carbazol-9-ylisoquinolin-7-yl)-trimethylsilane
CID 153491076
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181

Frequently Asked Questions

What is the IUPAC name of [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane?
The IUPAC name of [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane (CID 155603041) is [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane.
What is the SMILES notation for [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane?
The canonical SMILES for [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane is CO[Si](c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1nccc2c1sc1ccccc12.
What is the InChIKey of [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane?
The InChIKey is ULXXOMIATDWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2OSSi/c1-39-41(25-12-4-2-5-13-25,26-14-6-3-7-15-26)27-20-21-33-31(24-27)28-16-8-10-18-32(28)38(33)36-35-30(22-23-37-36)29-17-9-11-19-34(29)40-35/h2-24H,1H3.
What are the key properties of [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane?
[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane has a molecular weight of 562.77 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane is sourced from PubChem (CID 155603041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).