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

C44H29N3Si — CID 153318477

IUPAC2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1cccc(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c45-30-32-27-28-37(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)29-41(32)40-24-14-15-33(31-46)44(40)47-42-25-12-10-22-38(42)39-23-11-13-26-43(39)47/h1-29H
InChIKeyVRMVYSFUIUZRBS-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

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

2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile (PubChem CID 153318477) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile
PubChem CID153318477
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile
SMILESN#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1cccc(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c45-30-32-27-28-37(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)29-41(32)40-24-14-15-33(31-46)44(40)47-42-25-12-10-22-38(42)39-23-11-13-26-43(39)47/h1-29H
InChIKeyVRMVYSFUIUZRBS-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-(3-cyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318369
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile;9-[2-cyano-6-(2-cyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-(3-cyano-2-triphenylsilylphenyl)-6-isocyanophenyl]carbazole-3-carbonitrile;3-[5-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]-2-triphenylsilylbenzonitrile
CID 160610331
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
CID 153318472
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
CID 166588251
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 158316702
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile (CID 153318477) is 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile is N#Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1cccc(C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile?
The InChIKey is VRMVYSFUIUZRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-27-28-37(48(34-16-4-1-5-17-34,35-18-6-2-7-19-35)36-20-8-3-9-21-36)29-41(32)40-24-14-15-33(31-46)44(40)47-42-25-12-10-22-38(42)39-23-11-13-26-43(39)47/h1-29H.
What are the key properties of 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile?
2-carbazol-9-yl-3-(2-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 2-carbazol-9-yl-3-(2-cyano-5-triphenylsilylphenyl)benzonitrile is sourced from PubChem (CID 153318477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).