triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane

C54H38N2Si — CID 170515546

IUPACtriphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-32-48-53-50(34-19-35-52(53)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)56(54(45)48)41-36-37-47-46-30-16-17-33-49(46)55(51(47)38-41)40-22-8-2-9-23-40/h1-38H
InChIKeyDFZSWMBSTSXETF-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane

triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane (PubChem CID 170515546) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane.

Molecular Properties

Compound Nametriphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
PubChem CID170515546
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Nametriphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-32-48-53-50(34-19-35-52(53)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)56(54(45)48)41-36-37-47-46-30-16-17-33-49(46)55(51(47)38-41)40-22-8-2-9-23-40/h1-38H
InChIKeyDFZSWMBSTSXETF-UHFFFAOYSA-N
XLogP10.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.00
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
triphenyl-[9-[8-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515756
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515084
[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516363
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087
diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 171458387
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404
triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516312
[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515733
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929

Frequently Asked Questions

What is the IUPAC name of triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The IUPAC name of triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane (CID 170515546) is triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane.
What is the SMILES notation for triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The canonical SMILES for triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane is c1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1.
What is the InChIKey of triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The InChIKey is DFZSWMBSTSXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-31-18-32-48-53-50(34-19-35-52(53)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)56(54(45)48)41-36-37-47-46-30-16-17-33-49(46)55(51(47)38-41)40-22-8-2-9-23-40/h1-38H.
What are the key properties of triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane has a molecular weight of 743.00 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane is sourced from PubChem (CID 170515546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).