2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile

C66H43N5Si — CID 171723012

IUPAC2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cnc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C66H43N5Si/c67-43-57-64(69-58-34-16-10-28-50(58)51-29-11-17-35-59(51)69)40-45(41-65(57)70-60-36-18-12-30-52(60)53-31-13-19-37-61(53)70)56-42-49(44-68-66(56)71-62-38-20-14-32-54(62)55-33-15-21-39-63(55)71)72(46-22-4-1-5-23-46,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-42,44H
InChIKeyQPIXORCWXGGGIL-UHFFFAOYSA-N
MW934.19 g/mol
LogP13.29
Rot. Bonds8

About 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile

2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile (PubChem CID 171723012) has the molecular formula C66H43N5Si and a molecular weight of 934.19 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile
PubChem CID171723012
Molecular FormulaC66H43N5Si
Molecular Weight934.19 g/mol
Exact Mass933.33
IUPAC Name2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cnc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C66H43N5Si/c67-43-57-64(69-58-34-16-10-28-50(58)51-29-11-17-35-59(51)69)40-45(41-65(57)70-60-36-18-12-30-52(60)53-31-13-19-37-61(53)70)56-42-49(44-68-66(56)71-62-38-20-14-32-54(62)55-33-15-21-39-63(55)71)72(46-22-4-1-5-23-46,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-42,44H
InChIKeyQPIXORCWXGGGIL-UHFFFAOYSA-N
XLogP13.29
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.19
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
CID 171722977
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
2-carbazol-9-yl-3-isocyano-6-(4-triphenylsilylphenyl)benzonitrile
CID 153318620
4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318749
2-(2-carbazol-9-yl-5-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 152785157
2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 153318739
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874

Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile?
The IUPAC name of 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile (CID 171723012) is 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cnc2-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile?
The InChIKey is QPIXORCWXGGGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5Si/c67-43-57-64(69-58-34-16-10-28-50(58)51-29-11-17-35-59(51)69)40-45(41-65(57)70-60-36-18-12-30-52(60)53-31-13-19-37-61(53)70)56-42-49(44-68-66(56)71-62-38-20-14-32-54(62)55-33-15-21-39-63(55)71)72(46-22-4-1-5-23-46,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-42,44H.
What are the key properties of 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile?
2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile has a molecular weight of 934.19 g/mol, XLogP of 13.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 171723012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).