[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane

C53H37N3Si — CID 132545707

IUPAC[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3ccccn3)cc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C53H37N3Si/c1-3-15-41(16-4-1)57(42-17-5-2-6-18-42,43-31-26-38(27-32-43)49-22-13-14-36-54-49)44-33-28-39(29-34-44)55-52-25-12-9-21-47(52)48-37-40(30-35-53(48)55)56-50-23-10-7-19-45(50)46-20-8-11-24-51(46)56/h1-37H
InChIKeyQLZGTWYGGKZZFP-UHFFFAOYSA-N
MW743.99 g/mol
LogP10.32
Rot. Bonds7

About [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane

[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane (PubChem CID 132545707) has the molecular formula C53H37N3Si and a molecular weight of 743.99 g/mol. Its IUPAC name is [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane.

Molecular Properties

Compound Name[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
PubChem CID132545707
Molecular FormulaC53H37N3Si
Molecular Weight743.99 g/mol
Exact Mass743.28
IUPAC Name[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3ccccn3)cc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C53H37N3Si/c1-3-15-41(16-4-1)57(42-17-5-2-6-18-42,43-31-26-38(27-32-43)49-22-13-14-36-54-49)44-33-28-39(29-34-44)55-52-25-12-9-21-47(52)48-37-40(30-35-53(48)55)56-50-23-10-7-19-45(50)46-20-8-11-24-51(46)56/h1-37H
InChIKeyQLZGTWYGGKZZFP-UHFFFAOYSA-N
XLogP10.32
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane?
The IUPAC name of [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane (CID 132545707) is [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane.
What is the SMILES notation for [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane?
The canonical SMILES for [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane is c1ccc([Si](c2ccccc2)(c2ccc(-c3ccccn3)cc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane?
The InChIKey is QLZGTWYGGKZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3Si/c1-3-15-41(16-4-1)57(42-17-5-2-6-18-42,43-31-26-38(27-32-43)49-22-13-14-36-54-49)44-33-28-39(29-34-44)55-52-25-12-9-21-47(52)48-37-40(30-35-53(48)55)56-50-23-10-7-19-45(50)46-20-8-11-24-51(46)56/h1-37H.
What are the key properties of [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane?
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane has a molecular weight of 743.99 g/mol, XLogP of 10.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane is sourced from PubChem (CID 132545707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).