4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile

C22H18FN3 — CID 145189974

IUPAC4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile
SMILESCNC(C)c1cc(C#N)c(F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H18FN3/c1-14(25-2)18-11-15(13-24)19(23)12-22(18)26-20-9-5-3-7-16(20)17-8-4-6-10-21(17)26/h3-12,14,25H,1-2H3
InChIKeyOZSQPEQZAJCUDI-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.07
Rot. Bonds3

About 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile

4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile (PubChem CID 145189974) has the molecular formula C22H18FN3 and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile
PubChem CID145189974
Molecular FormulaC22H18FN3
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC Name4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile
SMILESCNC(C)c1cc(C#N)c(F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H18FN3/c1-14(25-2)18-11-15(13-24)19(23)12-22(18)26-20-9-5-3-7-16(20)17-8-4-6-10-21(17)26/h3-12,14,25H,1-2H3
InChIKeyOZSQPEQZAJCUDI-UHFFFAOYSA-N
XLogP5.07
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 153027335
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 152939777
5-chloro-2-[(1S)-1-(methylamino)ethyl]benzonitrile
CID 131209269
2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
CID 146406018
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-(4-cyano-2-fluorophenyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 153303201

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile (CID 145189974) is 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile is CNC(C)c1cc(C#N)c(F)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile?
The InChIKey is OZSQPEQZAJCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3/c1-14(25-2)18-11-15(13-24)19(23)12-22(18)26-20-9-5-3-7-16(20)17-8-4-6-10-21(17)26/h3-12,14,25H,1-2H3.
What are the key properties of 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile?
4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile has a molecular weight of 343.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile is sourced from PubChem (CID 145189974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).