2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile

C67H44N4Si — CID 171722977

IUPAC2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C67H44N4Si/c68-45-58-66(70-60-35-17-11-29-52(60)53-30-12-18-36-61(53)70)42-46(43-67(58)71-62-37-19-13-31-54(62)55-32-14-20-38-63(55)71)51-28-10-16-34-59(51)69-64-39-21-15-33-56(64)57-44-50(40-41-65(57)69)72(47-22-4-1-5-23-47,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-44H
InChIKeyMELGDRAJWKBIRU-UHFFFAOYSA-N
MW933.20 g/mol
LogP13.89
Rot. Bonds8

About 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile

2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 171722977) has the molecular formula C67H44N4Si and a molecular weight of 933.20 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID171722977
Molecular FormulaC67H44N4Si
Molecular Weight933.20 g/mol
Exact Mass932.33
IUPAC Name2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C67H44N4Si/c68-45-58-66(70-60-35-17-11-29-52(60)53-30-12-18-36-61(53)70)42-46(43-67(58)71-62-37-19-13-31-54(62)55-32-14-20-38-63(55)71)51-28-10-16-34-59(51)69-64-39-21-15-33-56(64)57-44-50(40-41-65(57)69)72(47-22-4-1-5-23-47,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-44H
InChIKeyMELGDRAJWKBIRU-UHFFFAOYSA-N
XLogP13.89
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.20
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
2,6-di(carbazol-9-yl)-4-(2-carbazol-9-yl-5-triphenylsilyl-3-pyridinyl)benzonitrile
CID 171723012
[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 177114968
[3-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490205
[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 174139185
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
[4-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 177276588
triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
CID 170516100
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 169290688
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852

Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile (CID 171722977) is 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-c2ccccc2-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is MELGDRAJWKBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N4Si/c68-45-58-66(70-60-35-17-11-29-52(60)53-30-12-18-36-61(53)70)42-46(43-67(58)71-62-37-19-13-31-54(62)55-32-14-20-38-63(55)71)51-28-10-16-34-59(51)69-64-39-21-15-33-56(64)57-44-50(40-41-65(57)69)72(47-22-4-1-5-23-47,48-24-6-2-7-25-48)49-26-8-3-9-27-49/h1-44H.
What are the key properties of 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile?
2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 933.20 g/mol, XLogP of 13.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 171722977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).