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

C43H30N2Si — CID 153318562

IUPAC3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H30N2Si/c44-31-33-15-14-26-42(45-40-24-12-10-22-38(40)39-23-11-13-25-41(39)45)43(33)32-27-29-37(30-28-32)46(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-30H
InChIKeyHKBPJGUUGIKCKY-UHFFFAOYSA-N
MW602.81 g/mol
LogP7.70
Rot. Bonds6

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

3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile (PubChem CID 153318562) has the molecular formula C43H30N2Si and a molecular weight of 602.81 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
PubChem CID153318562
Molecular FormulaC43H30N2Si
Molecular Weight602.81 g/mol
Exact Mass602.22
IUPAC Name3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H30N2Si/c44-31-33-15-14-26-42(45-40-24-12-10-22-38(40)39-23-11-13-25-41(39)45)43(33)32-27-29-37(30-28-32)46(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-30H
InChIKeyHKBPJGUUGIKCKY-UHFFFAOYSA-N
XLogP7.70
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.81
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-cyano-4-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 153318808
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318376
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
3-(2-carbazol-9-yl-6-isocyanophenyl)-5-triphenylsilylbenzonitrile
CID 153318872

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile (CID 153318562) is 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile is N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile?
The InChIKey is HKBPJGUUGIKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2Si/c44-31-33-15-14-26-42(45-40-24-12-10-22-38(40)39-23-11-13-25-41(39)45)43(33)32-27-29-37(30-28-32)46(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-30H.
What are the key properties of 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile?
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile has a molecular weight of 602.81 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile is sourced from PubChem (CID 153318562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).