(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

C57H35N5S2Si — CID 140811676

IUPAC(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1
InChIInChI=1S/C57H35N5S2Si/c1-3-15-36(16-4-1)65(37-17-5-2-6-18-37,56-54-43(29-33-59-56)41-22-13-27-50(52(41)63-54)61-46-24-10-7-19-38(46)39-20-8-11-25-47(39)61)57-55-44(30-34-60-57)42-23-14-28-51(53(42)64-55)62-48-26-12-9-21-40(48)45-35-58-32-31-49(45)62/h1-35H
InChIKeyQFGDDPOKPOAYAQ-UHFFFAOYSA-N
MW882.16 g/mol
LogP12.18
Rot. Bonds6

About (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane

(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (PubChem CID 140811676) has the molecular formula C57H35N5S2Si and a molecular weight of 882.16 g/mol. Its IUPAC name is (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.

Molecular Properties

Compound Name(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
PubChem CID140811676
Molecular FormulaC57H35N5S2Si
Molecular Weight882.16 g/mol
Exact Mass881.21
IUPAC Name(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1
InChIInChI=1S/C57H35N5S2Si/c1-3-15-36(16-4-1)65(37-17-5-2-6-18-37,56-54-43(29-33-59-56)41-22-13-27-50(52(41)63-54)61-46-24-10-7-19-38(46)39-20-8-11-25-47(39)61)57-55-44(30-34-60-57)42-23-14-28-51(53(42)64-55)62-48-26-12-9-21-40(48)45-35-58-32-31-49(45)62/h1-35H
InChIKeyQFGDDPOKPOAYAQ-UHFFFAOYSA-N
XLogP12.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.16
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The IUPAC name of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane (CID 140811676) is (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane.
What is the SMILES notation for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The canonical SMILES for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c2nccc3c2sc2c(-n4c5ccccc5c5cnccc54)cccc23)cc1.
What is the InChIKey of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
The InChIKey is QFGDDPOKPOAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S2Si/c1-3-15-36(16-4-1)65(37-17-5-2-6-18-37,56-54-43(29-33-59-56)41-22-13-27-50(52(41)63-54)61-46-24-10-7-19-38(46)39-20-8-11-25-47(39)61)57-55-44(30-34-60-57)42-23-14-28-51(53(42)64-55)62-48-26-12-9-21-40(48)45-35-58-32-31-49(45)62/h1-35H.
What are the key properties of (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane?
(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane has a molecular weight of 882.16 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane is sourced from PubChem (CID 140811676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).