[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane

C54H38N2Si — CID 171458247

IUPAC[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C54H38N2Si/c1-5-18-39(19-6-1)40-32-34-41(35-33-40)55-51-37-36-42(56-49-28-15-13-26-46(49)47-27-14-16-29-50(47)56)38-48(51)54-52(55)30-17-31-53(54)57(43-20-7-2-8-21-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45/h1-38H
InChIKeyFGNQHJHWFXIDKZ-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane

[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane (PubChem CID 171458247) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
PubChem CID171458247
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Name[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C54H38N2Si/c1-5-18-39(19-6-1)40-32-34-41(35-33-40)55-51-37-36-42(56-49-28-15-13-26-46(49)47-27-14-16-29-50(47)56)38-48(51)54-52(55)30-17-31-53(54)57(43-20-7-2-8-21-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45/h1-38H
InChIKeyFGNQHJHWFXIDKZ-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-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane
CID 170515347
diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458393
(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458575
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
triphenyl-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 168762404
[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515407
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587

Frequently Asked Questions

What is the IUPAC name of [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane?
The IUPAC name of [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane (CID 171458247) is [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane?
The InChIKey is FGNQHJHWFXIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-5-18-39(19-6-1)40-32-34-41(35-33-40)55-51-37-36-42(56-49-28-15-13-26-46(49)47-27-14-16-29-50(47)56)38-48(51)54-52(55)30-17-31-53(54)57(43-20-7-2-8-21-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45/h1-38H.
What are the key properties of [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane?
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane 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 [6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 171458247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).