2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile

C44H29N3Si — CID 147265434

IUPAC2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
SMILESN#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H29N3Si/c45-30-32-16-14-29-43(48(33-17-4-1-5-18-33,34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(32)38-25-15-28-42(39(38)31-46)47-40-26-12-10-23-36(40)37-24-11-13-27-41(37)47/h1-29H
InChIKeyCPJPZFFSFNQIFK-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

About 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile

2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile (PubChem CID 147265434) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
PubChem CID147265434
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
SMILESN#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H29N3Si/c45-30-32-16-14-29-43(48(33-17-4-1-5-18-33,34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(32)38-25-15-28-42(39(38)31-46)47-40-26-12-10-23-36(40)37-24-11-13-27-41(37)47/h1-29H
InChIKeyCPJPZFFSFNQIFK-UHFFFAOYSA-N
XLogP7.57
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 57.57
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

2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318376
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
2-(2-carbazol-9-yl-5-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 152785157
2-(2-carbazol-9-yl-4-cyanophenyl)-6-triphenylsilylbenzonitrile
CID 153318739
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
2-(3-cyano-4-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 153318808
2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
CID 171722977
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958337
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile?
The IUPAC name of 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile (CID 147265434) is 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile.
What is the SMILES notation for 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile?
The canonical SMILES for 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile is N#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile?
The InChIKey is CPJPZFFSFNQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-16-14-29-43(48(33-17-4-1-5-18-33,34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(32)38-25-15-28-42(39(38)31-46)47-40-26-12-10-23-36(40)37-24-11-13-27-41(37)47/h1-29H.
What are the key properties of 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile?
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile has a molecular weight of 627.82 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile is sourced from PubChem (CID 147265434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).