triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane

C54H38N2Si — CID 170516082

IUPACtriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2ccc3c(c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-36-37-51-53(54(45)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)48-31-17-19-33-50(48)56(51)41-34-35-47-46-30-16-18-32-49(46)55(52(47)38-41)40-22-8-2-9-23-40/h1-38H
InChIKeyIRHFOGHMZGSJEQ-UHFFFAOYSA-N
MW743.00 g/mol
LogP10.93
Rot. Bonds7

About triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane

triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane (PubChem CID 170516082) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane.

Molecular Properties

Compound Nametriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
PubChem CID170516082
Molecular FormulaC54H38N2Si
Molecular Weight743.00 g/mol
Exact Mass742.28
IUPAC Nametriphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
SMILESc1ccc(-c2ccc3c(c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-36-37-51-53(54(45)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)48-31-17-19-33-50(48)56(51)41-34-35-47-46-30-16-18-32-49(46)55(52(47)38-41)40-22-8-2-9-23-40/h1-38H
InChIKeyIRHFOGHMZGSJEQ-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

[3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170515045
[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170515214
triphenyl-[4-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]silane
CID 170516296
[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 170515408
triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane
CID 170516298
triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589053
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
triphenyl-[4-phenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515473
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The IUPAC name of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane (CID 170516082) is triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane.
What is the SMILES notation for triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The canonical SMILES for triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane is c1ccc(-c2ccc3c(c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
The InChIKey is IRHFOGHMZGSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-20-39(21-7-1)45-36-37-51-53(54(45)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44)48-31-17-19-33-50(48)56(51)41-34-35-47-46-30-16-18-32-49(46)55(52(47)38-41)40-22-8-2-9-23-40/h1-38H.
What are the key properties of triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane?
triphenyl-[3-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-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane is sourced from PubChem (CID 170516082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).