[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane

C53H35N3OSi — CID 156664880

IUPAC[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C53H35N3OSi/c1-4-16-38(17-5-1)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-34-47-46-33-37(29-31-52(46)57-53(47)54-35-41)56-50-27-15-12-24-44(50)45-32-36(28-30-51(45)56)55-48-25-13-10-22-42(48)43-23-11-14-26-49(43)55/h1-35H
InChIKeyFPTUEJMYLLHSEF-UHFFFAOYSA-N
MW757.97 g/mol
LogP10.55
Rot. Bonds6

About [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane

[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane (PubChem CID 156664880) has the molecular formula C53H35N3OSi and a molecular weight of 757.97 g/mol. Its IUPAC name is [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
PubChem CID156664880
Molecular FormulaC53H35N3OSi
Molecular Weight757.97 g/mol
Exact Mass757.25
IUPAC Name[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C53H35N3OSi/c1-4-16-38(17-5-1)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-34-47-46-33-37(29-31-52(46)57-53(47)54-35-41)56-50-27-15-12-24-44(50)45-32-36(28-30-51(45)56)55-48-25-13-10-22-42(48)43-23-11-14-26-49(43)55/h1-35H
InChIKeyFPTUEJMYLLHSEF-UHFFFAOYSA-N
XLogP10.55
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.97
LogP ≤ 510.55
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

6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 157254942
[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 123160029
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195

Frequently Asked Questions

What is the IUPAC name of [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The IUPAC name of [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane (CID 156664880) is [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane.
What is the SMILES notation for [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The canonical SMILES for [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.
What is the InChIKey of [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The InChIKey is FPTUEJMYLLHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3OSi/c1-4-16-38(17-5-1)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-34-47-46-33-37(29-31-52(46)57-53(47)54-35-41)56-50-27-15-12-24-44(50)45-32-36(28-30-51(45)56)55-48-25-13-10-22-42(48)43-23-11-14-26-49(43)55/h1-35H.
What are the key properties of [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane has a molecular weight of 757.97 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane is sourced from PubChem (CID 156664880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).