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

C47H32N2SSi — CID 123944245

IUPAC[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3nccc4c3sc3ccccc34)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C47H32N2SSi/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-13-15-33(31-37)46-47-42(29-30-48-46)41-25-9-12-28-45(41)50-47)38-22-14-16-34(32-38)49-43-26-10-7-23-39(43)40-24-8-11-27-44(40)49/h1-32H
InChIKeyOZVIBARZTCSZHB-UHFFFAOYSA-N
MW684.94 g/mol
LogP9.59
Rot. Bonds6

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

[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane (PubChem CID 123944245) has the molecular formula C47H32N2SSi and a molecular weight of 684.94 g/mol. Its IUPAC name is [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane.

Molecular Properties

Compound Name[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane
PubChem CID123944245
Molecular FormulaC47H32N2SSi
Molecular Weight684.94 g/mol
Exact Mass684.21
IUPAC Name[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3nccc4c3sc3ccccc34)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C47H32N2SSi/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-13-15-33(31-37)46-47-42(29-30-48-46)41-25-9-12-28-45(41)50-47)38-22-14-16-34(32-38)49-43-26-10-7-23-39(43)40-24-8-11-27-44(40)49/h1-32H
InChIKeyOZVIBARZTCSZHB-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-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-[4-[(3-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]-diphenylsilane;[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-[4-[4-[(3-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]phenyl]-diphenylsilane;[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-[6-[(3-dibenzothiophen-4-ylphenyl)-diphenylsilyl]dibenzothiophen-4-yl]-diphenylsilane;[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-[8-[(3-dibenzothiophen-4-ylphenyl)-diphenylsilyl]dibenzothiophen-2-yl]-diphenylsilane;[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-[7-[(3-dibenzothiophen-4-ylphenyl)-diphenylsilyl]triphenylen-2-yl]-diphenylsilane
CID 158922018
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
[3-[4-(2-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588373
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
21-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-23-thia-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154600125
[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane
CID 159703445
6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 160839103
[3-[3-(4-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588331

Frequently Asked Questions

What is the IUPAC name of [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane?
The IUPAC name of [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane (CID 123944245) is [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane.
What is the SMILES notation for [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane?
The canonical SMILES for [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-c3nccc4c3sc3ccccc34)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane?
The InChIKey is OZVIBARZTCSZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2SSi/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-13-15-33(31-37)46-47-42(29-30-48-46)41-25-9-12-28-45(41)50-47)38-22-14-16-34(32-38)49-43-26-10-7-23-39(43)40-24-8-11-27-44(40)49/h1-32H.
What are the key properties of [3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane?
[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane 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-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane is sourced from PubChem (CID 123944245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).