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

C43H30N2Si — CID 153318376

IUPAC2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
SMILESN#Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H30N2Si/c44-31-32-17-7-15-29-42(32)46(33-18-3-1-4-19-33,34-20-5-2-6-21-34)43-30-16-11-25-38(43)37-24-10-14-28-41(37)45-39-26-12-8-22-35(39)36-23-9-13-27-40(36)45/h1-30H
InChIKeyJXVVDDMGHVBKEG-UHFFFAOYSA-N
MW602.81 g/mol
LogP7.70
Rot. Bonds6

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

2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile (PubChem CID 153318376) has the molecular formula C43H30N2Si and a molecular weight of 602.81 g/mol. Its IUPAC name is 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
PubChem CID153318376
Molecular FormulaC43H30N2Si
Molecular Weight602.81 g/mol
Exact Mass602.22
IUPAC Name2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
SMILESN#Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H30N2Si/c44-31-32-17-7-15-29-42(32)46(33-18-3-1-4-19-33,34-20-5-2-6-21-34)43-30-16-11-25-38(43)37-24-10-14-28-41(37)45-39-26-12-8-22-35(39)36-23-9-13-27-40(36)45/h1-30H
InChIKeyJXVVDDMGHVBKEG-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-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
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
9-[2-cyano-5-isocyano-3-(2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318330
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318740
3-(2-carbazol-9-yl-5-isocyanophenyl)-2-triphenylsilylbenzonitrile
CID 153318522
2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
CID 171722977
[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 177114968
2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318477
2-(3-cyano-4-triphenylsilylphenyl)-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 153318808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The IUPAC name of 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile (CID 153318376) is 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile.
What is the SMILES notation for 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The canonical SMILES for 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile is N#Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
The InChIKey is JXVVDDMGHVBKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2Si/c44-31-32-17-7-15-29-42(32)46(33-18-3-1-4-19-33,34-20-5-2-6-21-34)43-30-16-11-25-38(43)37-24-10-14-28-41(37)45-39-26-12-8-22-35(39)36-23-9-13-27-40(36)45/h1-30H.
What are the key properties of 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile?
2-[[2-(2-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 2-[[2-(2-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile is sourced from PubChem (CID 153318376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).