4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile

C44H29N3Si — CID 153318749

IUPAC4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-26-34(42-29-35(25-24-33(42)31-46)47-43-22-12-10-20-40(43)41-21-11-13-23-44(41)47)28-39(27-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H
InChIKeyXHOUPKZHERUXTD-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

About 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile

4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile (PubChem CID 153318749) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
PubChem CID153318749
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-26-34(42-29-35(25-24-33(42)31-46)47-43-22-12-10-20-40(43)41-21-11-13-23-44(41)47)28-39(27-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H
InChIKeyXHOUPKZHERUXTD-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

9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[4-cyano-3-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318369
9-[4-cyano-3-(3-cyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[4-(2,4-diisocyano-6-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-4-(3-isocyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-(2-isocyano-4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 157286644
4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
CID 163556606
3-[4-carbazol-9-yl-6-(3-isocyano-5-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-5-triphenylsilylbenzonitrile
CID 171737240
5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129312878
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 158311970
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 163423983
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318740

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile?
The IUPAC name of 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile (CID 153318749) is 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile is N#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2C#N)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile?
The InChIKey is XHOUPKZHERUXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-26-34(42-29-35(25-24-33(42)31-46)47-43-22-12-10-20-40(43)41-21-11-13-23-44(41)47)28-39(27-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H.
What are the key properties of 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile?
4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile 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 4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile is sourced from PubChem (CID 153318749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).