4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile

C43H30N2Si — CID 153318740

IUPAC4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
SMILESN#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C43H30N2Si/c44-31-32-23-29-37(30-24-32)46(35-13-3-1-4-14-35,36-15-5-2-6-16-36)43-22-12-9-17-38(43)33-25-27-34(28-26-33)45-41-20-10-7-18-39(41)40-19-8-11-21-42(40)45/h1-30H
InChIKeyKQRQYTYYUITERB-UHFFFAOYSA-N
MW602.81 g/mol
LogP7.70
Rot. Bonds6

About 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile

4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile (PubChem CID 153318740) has the molecular formula C43H30N2Si and a molecular weight of 602.81 g/mol. Its IUPAC name is 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
PubChem CID153318740
Molecular FormulaC43H30N2Si
Molecular Weight602.81 g/mol
Exact Mass602.22
IUPAC Name4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
SMILESN#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C43H30N2Si/c44-31-32-23-29-37(30-24-32)46(35-13-3-1-4-14-35,36-15-5-2-6-16-36)43-22-12-9-17-38(43)33-25-27-34(28-26-33)45-41-20-10-7-18-39(41)40-19-8-11-21-42(40)45/h1-30H
InChIKeyKQRQYTYYUITERB-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

9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
CID 163556606
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
9-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851
4-[4-[6-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]benzonitrile
CID 176632587
4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-1-yl)silyl]benzonitrile;[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
CID 158834819
[2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane
CID 168811034
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]fluoranthen-3-yl]benzonitrile
CID 165376402
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
2-(3-cyanocarbazol-9-yl)-5-(4-triphenylsilylphenyl)benzene-1,4-dicarbonitrile
CID 148966852

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The IUPAC name of 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile (CID 153318740) is 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile.
What is the SMILES notation for 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The canonical SMILES for 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile is N#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The InChIKey is KQRQYTYYUITERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2Si/c44-31-32-23-29-37(30-24-32)46(35-13-3-1-4-14-35,36-15-5-2-6-16-36)43-22-12-9-17-38(43)33-25-27-34(28-26-33)45-41-20-10-7-18-39(41)40-19-8-11-21-42(40)45/h1-30H.
What are the key properties of 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]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 4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile is sourced from PubChem (CID 153318740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).