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

C54H38N2Si — CID 170516087

IUPACtriphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-33-46-53-50(37-20-38-51(53)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43)56(54(44)46)49-36-19-35-48-52(49)45-31-16-17-34-47(45)55(48)40-23-8-2-9-24-40/h1-38H
InChIKeyMIHUMCGJHINSKE-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

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

triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane (PubChem CID 170516087) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane.

Molecular Properties

Compound Nametriphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
PubChem CID170516087
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Nametriphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-33-46-53-50(37-20-38-51(53)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43)56(54(44)46)49-36-19-35-48-52(49)45-31-16-17-34-47(45)55(48)40-23-8-2-9-24-40/h1-38H
InChIKeyMIHUMCGJHINSKE-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

[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170516212
triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
triphenyl-[8-phenyl-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
CID 170515650
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
triphenyl-[9-[8-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515756
[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516363
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587
triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
CID 170515164
[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
CID 170516398

Frequently Asked Questions

What is the IUPAC name of triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane?
The IUPAC name of triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane (CID 170516087) is triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane.
What is the SMILES notation for triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane?
The canonical SMILES for triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane is c1ccc(-c2cccc3c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc4n(-c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1.
What is the InChIKey of triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane?
The InChIKey is MIHUMCGJHINSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-21-39(22-7-1)44-32-18-33-46-53-50(37-20-38-51(53)57(41-25-10-3-11-26-41,42-27-12-4-13-28-42)43-29-14-5-15-30-43)56(54(44)46)49-36-19-35-48-52(49)45-31-16-17-34-47(45)55(48)40-23-8-2-9-24-40/h1-38H.
What are the key properties of triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane?
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-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-4-yl)carbazol-4-yl]silane is sourced from PubChem (CID 170516087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).